# generated using pymatgen
data_ZrFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13534991
_cell_length_b   18.86898873
_cell_length_c   14.22722490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeSi2
_chemical_formula_sum   'Zr24 Fe24 Si48'
_cell_volume   1378.60186775
_cell_formula_units_Z   24
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  0.20236500  0.81726900  1
  Zr  Zr1  1  0.50000000  0.29763500  0.18273100  1
  Zr  Zr2  1  0.00000000  0.29763500  0.31726900  1
  Zr  Zr3  1  0.50000000  0.20236500  0.68273100  1
  Zr  Zr4  1  0.00000000  0.46501700  0.82480000  1
  Zr  Zr5  1  0.50000000  0.03498300  0.17520000  1
  Zr  Zr6  1  0.00000000  0.03498300  0.32480000  1
  Zr  Zr7  1  0.50000000  0.46501700  0.67520000  1
  Zr  Zr8  1  0.00000000  0.12378500  0.58236800  1
  Zr  Zr9  1  0.50000000  0.37621500  0.41763200  1
  Zr  Zr10  1  0.00000000  0.37621500  0.08236800  1
  Zr  Zr11  1  0.50000000  0.12378500  0.91763200  1
  Zr  Zr12  1  0.50000000  0.70236500  0.81726900  1
  Zr  Zr13  1  0.00000000  0.79763500  0.18273100  1
  Zr  Zr14  1  0.50000000  0.79763500  0.31726900  1
  Zr  Zr15  1  0.00000000  0.70236500  0.68273100  1
  Zr  Zr16  1  0.50000000  0.96501700  0.82480000  1
  Zr  Zr17  1  0.00000000  0.53498300  0.17520000  1
  Zr  Zr18  1  0.50000000  0.53498300  0.32480000  1
  Zr  Zr19  1  0.00000000  0.96501700  0.67520000  1
  Zr  Zr20  1  0.50000000  0.62378500  0.58236800  1
  Zr  Zr21  1  0.00000000  0.87621500  0.41763200  1
  Zr  Zr22  1  0.50000000  0.87621500  0.08236800  1
  Zr  Zr23  1  0.00000000  0.62378500  0.91763200  1
  Fe  Fe24  1  0.75000000  0.25000000  0.50000000  1
  Fe  Fe25  1  0.25000000  0.25000000  0.50000000  1
  Fe  Fe26  1  0.75000000  0.25000000  0.00000000  1
  Fe  Fe27  1  0.25000000  0.25000000  0.00000000  1
  Fe  Fe28  1  0.75000000  0.33759500  0.75000000  1
  Fe  Fe29  1  0.25000000  0.16240500  0.25000000  1
  Fe  Fe30  1  0.75000000  0.16240500  0.25000000  1
  Fe  Fe31  1  0.25000000  0.33759500  0.75000000  1
  Fe  Fe32  1  0.00000000  0.04026700  0.87689300  1
  Fe  Fe33  1  0.50000000  0.45973300  0.12310700  1
  Fe  Fe34  1  0.00000000  0.45973300  0.37689300  1
  Fe  Fe35  1  0.50000000  0.04026700  0.62310700  1
  Fe  Fe36  1  0.25000000  0.75000000  0.50000000  1
  Fe  Fe37  1  0.75000000  0.75000000  0.50000000  1
  Fe  Fe38  1  0.25000000  0.75000000  0.00000000  1
  Fe  Fe39  1  0.75000000  0.75000000  0.00000000  1
  Fe  Fe40  1  0.25000000  0.83759500  0.75000000  1
  Fe  Fe41  1  0.75000000  0.66240500  0.25000000  1
  Fe  Fe42  1  0.25000000  0.66240500  0.25000000  1
  Fe  Fe43  1  0.75000000  0.83759500  0.75000000  1
  Fe  Fe44  1  0.50000000  0.54026700  0.87689300  1
  Fe  Fe45  1  0.00000000  0.95973300  0.12310700  1
  Fe  Fe46  1  0.50000000  0.95973300  0.37689300  1
  Fe  Fe47  1  0.00000000  0.54026700  0.62310700  1
  Si  Si48  1  0.24418500  0.00000000  0.50000000  1
  Si  Si49  1  0.74418500  0.00000000  0.00000000  1
  Si  Si50  1  0.75581500  0.00000000  0.50000000  1
  Si  Si51  1  0.25581500  0.00000000  0.00000000  1
  Si  Si52  1  0.75000000  0.08344000  0.75000000  1
  Si  Si53  1  0.25000000  0.41656000  0.25000000  1
  Si  Si54  1  0.75000000  0.41656000  0.25000000  1
  Si  Si55  1  0.25000000  0.08344000  0.75000000  1
  Si  Si56  1  0.00000000  0.33132400  0.89721800  1
  Si  Si57  1  0.50000000  0.16867600  0.10278200  1
  Si  Si58  1  0.00000000  0.16867600  0.39721800  1
  Si  Si59  1  0.50000000  0.33132400  0.60278200  1
  Si  Si60  1  0.00000000  0.41090200  0.64435900  1
  Si  Si61  1  0.50000000  0.08909800  0.35564100  1
  Si  Si62  1  0.00000000  0.08909800  0.14435900  1
  Si  Si63  1  0.50000000  0.41090200  0.85564100  1
  Si  Si64  1  0.00000000  0.26496000  0.64336100  1
  Si  Si65  1  0.50000000  0.23504000  0.35663900  1
  Si  Si66  1  0.00000000  0.23504000  0.14336100  1
  Si  Si67  1  0.50000000  0.26496000  0.85663900  1
  Si  Si68  1  0.00000000  0.35965900  0.49287800  1
  Si  Si69  1  0.50000000  0.14034100  0.50712200  1
  Si  Si70  1  0.00000000  0.14034100  0.99287800  1
  Si  Si71  1  0.50000000  0.35965900  0.00712200  1
  Si  Si72  1  0.74418500  0.50000000  0.50000000  1
  Si  Si73  1  0.24418500  0.50000000  0.00000000  1
  Si  Si74  1  0.25581500  0.50000000  0.50000000  1
  Si  Si75  1  0.75581500  0.50000000  0.00000000  1
  Si  Si76  1  0.25000000  0.58344000  0.75000000  1
  Si  Si77  1  0.75000000  0.91656000  0.25000000  1
  Si  Si78  1  0.25000000  0.91656000  0.25000000  1
  Si  Si79  1  0.75000000  0.58344000  0.75000000  1
  Si  Si80  1  0.50000000  0.83132400  0.89721800  1
  Si  Si81  1  0.00000000  0.66867600  0.10278200  1
  Si  Si82  1  0.50000000  0.66867600  0.39721800  1
  Si  Si83  1  0.00000000  0.83132400  0.60278200  1
  Si  Si84  1  0.50000000  0.91090200  0.64435900  1
  Si  Si85  1  0.00000000  0.58909800  0.35564100  1
  Si  Si86  1  0.50000000  0.58909800  0.14435900  1
  Si  Si87  1  0.00000000  0.91090200  0.85564100  1
  Si  Si88  1  0.50000000  0.76496000  0.64336100  1
  Si  Si89  1  0.00000000  0.73504000  0.35663900  1
  Si  Si90  1  0.50000000  0.73504000  0.14336100  1
  Si  Si91  1  0.00000000  0.76496000  0.85663900  1
  Si  Si92  1  0.50000000  0.85965900  0.49287800  1
  Si  Si93  1  0.00000000  0.64034100  0.50712200  1
  Si  Si94  1  0.50000000  0.64034100  0.99287800  1
  Si  Si95  1  0.00000000  0.85965900  0.00712200  1
