# generated using pymatgen
data_Zr6Fe16Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44185400
_cell_length_b   11.44185400
_cell_length_c   11.44185400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Fe16Si7
_chemical_formula_sum   'Zr24 Fe64 Si28'
_cell_volume   1497.92202094
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.00000000  0.00000000  0.70797700  1
  Zr  Zr1  1  0.00000000  0.79202300  0.50000000  1
  Zr  Zr2  1  0.29202300  0.00000000  0.00000000  1
  Zr  Zr3  1  0.00000000  0.00000000  0.29202300  1
  Zr  Zr4  1  0.00000000  0.20797700  0.50000000  1
  Zr  Zr5  1  0.20797700  0.00000000  0.50000000  1
  Zr  Zr6  1  0.00000000  0.50000000  0.20797700  1
  Zr  Zr7  1  0.00000000  0.29202300  0.00000000  1
  Zr  Zr8  1  0.29202300  0.50000000  0.50000000  1
  Zr  Zr9  1  0.00000000  0.50000000  0.79202300  1
  Zr  Zr10  1  0.00000000  0.70797700  0.00000000  1
  Zr  Zr11  1  0.20797700  0.50000000  0.00000000  1
  Zr  Zr12  1  0.50000000  0.00000000  0.20797700  1
  Zr  Zr13  1  0.50000000  0.79202300  0.00000000  1
  Zr  Zr14  1  0.79202300  0.00000000  0.50000000  1
  Zr  Zr15  1  0.50000000  0.00000000  0.79202300  1
  Zr  Zr16  1  0.50000000  0.20797700  0.00000000  1
  Zr  Zr17  1  0.70797700  0.00000000  0.00000000  1
  Zr  Zr18  1  0.50000000  0.50000000  0.70797700  1
  Zr  Zr19  1  0.50000000  0.29202300  0.50000000  1
  Zr  Zr20  1  0.79202300  0.50000000  0.00000000  1
  Zr  Zr21  1  0.50000000  0.50000000  0.29202300  1
  Zr  Zr22  1  0.50000000  0.70797700  0.50000000  1
  Zr  Zr23  1  0.70797700  0.50000000  0.50000000  1
  Fe  Fe24  1  0.12225500  0.12225500  0.87774500  1
  Fe  Fe25  1  0.12225500  0.37774500  0.62225500  1
  Fe  Fe26  1  0.37774500  0.12225500  0.62225500  1
  Fe  Fe27  1  0.37774500  0.37774500  0.87774500  1
  Fe  Fe28  1  0.37774500  0.87774500  0.62225500  1
  Fe  Fe29  1  0.37774500  0.62225500  0.87774500  1
  Fe  Fe30  1  0.12225500  0.87774500  0.87774500  1
  Fe  Fe31  1  0.12225500  0.62225500  0.62225500  1
  Fe  Fe32  1  0.32374100  0.32374100  0.67625900  1
  Fe  Fe33  1  0.32374100  0.17625900  0.82374100  1
  Fe  Fe34  1  0.17625900  0.32374100  0.82374100  1
  Fe  Fe35  1  0.17625900  0.17625900  0.67625900  1
  Fe  Fe36  1  0.17625900  0.67625900  0.82374100  1
  Fe  Fe37  1  0.17625900  0.82374100  0.67625900  1
  Fe  Fe38  1  0.32374100  0.67625900  0.67625900  1
  Fe  Fe39  1  0.32374100  0.82374100  0.82374100  1
  Fe  Fe40  1  0.12225500  0.62225500  0.37774500  1
  Fe  Fe41  1  0.12225500  0.87774500  0.12225500  1
  Fe  Fe42  1  0.37774500  0.62225500  0.12225500  1
  Fe  Fe43  1  0.37774500  0.87774500  0.37774500  1
  Fe  Fe44  1  0.37774500  0.37774500  0.12225500  1
  Fe  Fe45  1  0.37774500  0.12225500  0.37774500  1
  Fe  Fe46  1  0.12225500  0.37774500  0.37774500  1
  Fe  Fe47  1  0.12225500  0.12225500  0.12225500  1
  Fe  Fe48  1  0.32374100  0.82374100  0.17625900  1
  Fe  Fe49  1  0.32374100  0.67625900  0.32374100  1
  Fe  Fe50  1  0.17625900  0.82374100  0.32374100  1
  Fe  Fe51  1  0.17625900  0.67625900  0.17625900  1
  Fe  Fe52  1  0.17625900  0.17625900  0.32374100  1
  Fe  Fe53  1  0.17625900  0.32374100  0.17625900  1
  Fe  Fe54  1  0.32374100  0.17625900  0.17625900  1
  Fe  Fe55  1  0.32374100  0.32374100  0.32374100  1
  Fe  Fe56  1  0.62225500  0.12225500  0.37774500  1
  Fe  Fe57  1  0.62225500  0.37774500  0.12225500  1
  Fe  Fe58  1  0.87774500  0.12225500  0.12225500  1
  Fe  Fe59  1  0.87774500  0.37774500  0.37774500  1
  Fe  Fe60  1  0.87774500  0.87774500  0.12225500  1
  Fe  Fe61  1  0.87774500  0.62225500  0.37774500  1
  Fe  Fe62  1  0.62225500  0.87774500  0.37774500  1
  Fe  Fe63  1  0.62225500  0.62225500  0.12225500  1
  Fe  Fe64  1  0.82374100  0.32374100  0.17625900  1
  Fe  Fe65  1  0.82374100  0.17625900  0.32374100  1
  Fe  Fe66  1  0.67625900  0.32374100  0.32374100  1
  Fe  Fe67  1  0.67625900  0.17625900  0.17625900  1
  Fe  Fe68  1  0.67625900  0.67625900  0.32374100  1
  Fe  Fe69  1  0.67625900  0.82374100  0.17625900  1
  Fe  Fe70  1  0.82374100  0.67625900  0.17625900  1
  Fe  Fe71  1  0.82374100  0.82374100  0.32374100  1
  Fe  Fe72  1  0.62225500  0.62225500  0.87774500  1
  Fe  Fe73  1  0.62225500  0.87774500  0.62225500  1
  Fe  Fe74  1  0.87774500  0.62225500  0.62225500  1
  Fe  Fe75  1  0.87774500  0.87774500  0.87774500  1
  Fe  Fe76  1  0.87774500  0.37774500  0.62225500  1
  Fe  Fe77  1  0.87774500  0.12225500  0.87774500  1
  Fe  Fe78  1  0.62225500  0.37774500  0.87774500  1
  Fe  Fe79  1  0.62225500  0.12225500  0.62225500  1
  Fe  Fe80  1  0.82374100  0.82374100  0.67625900  1
  Fe  Fe81  1  0.82374100  0.67625900  0.82374100  1
  Fe  Fe82  1  0.67625900  0.82374100  0.82374100  1
  Fe  Fe83  1  0.67625900  0.67625900  0.67625900  1
  Fe  Fe84  1  0.67625900  0.17625900  0.82374100  1
  Fe  Fe85  1  0.67625900  0.32374100  0.67625900  1
  Fe  Fe86  1  0.82374100  0.17625900  0.67625900  1
  Fe  Fe87  1  0.82374100  0.32374100  0.82374100  1
  Si  Si88  1  0.00000000  0.00000000  0.00000000  1
  Si  Si89  1  0.25000000  0.25000000  0.00000000  1
  Si  Si90  1  0.25000000  0.00000000  0.75000000  1
  Si  Si91  1  0.00000000  0.25000000  0.75000000  1
  Si  Si92  1  0.25000000  0.75000000  0.00000000  1
  Si  Si93  1  0.25000000  0.00000000  0.25000000  1
  Si  Si94  1  0.00000000  0.75000000  0.75000000  1
  Si  Si95  1  0.00000000  0.50000000  0.50000000  1
  Si  Si96  1  0.25000000  0.75000000  0.50000000  1
  Si  Si97  1  0.25000000  0.50000000  0.25000000  1
  Si  Si98  1  0.00000000  0.75000000  0.25000000  1
  Si  Si99  1  0.25000000  0.25000000  0.50000000  1
  Si  Si100  1  0.25000000  0.50000000  0.75000000  1
  Si  Si101  1  0.00000000  0.25000000  0.25000000  1
  Si  Si102  1  0.50000000  0.00000000  0.50000000  1
  Si  Si103  1  0.75000000  0.25000000  0.50000000  1
  Si  Si104  1  0.75000000  0.00000000  0.25000000  1
  Si  Si105  1  0.50000000  0.25000000  0.25000000  1
  Si  Si106  1  0.75000000  0.75000000  0.50000000  1
  Si  Si107  1  0.75000000  0.00000000  0.75000000  1
  Si  Si108  1  0.50000000  0.75000000  0.25000000  1
  Si  Si109  1  0.50000000  0.50000000  0.00000000  1
  Si  Si110  1  0.75000000  0.75000000  0.00000000  1
  Si  Si111  1  0.75000000  0.50000000  0.75000000  1
  Si  Si112  1  0.50000000  0.75000000  0.75000000  1
  Si  Si113  1  0.75000000  0.25000000  0.00000000  1
  Si  Si114  1  0.75000000  0.50000000  0.25000000  1
  Si  Si115  1  0.50000000  0.25000000  0.75000000  1
