# generated using pymatgen
data_Fe21(MoC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49349914
_cell_length_b   10.49349914
_cell_length_c   10.49349914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe21(MoC3)2
_chemical_formula_sum   'Fe84 Mo8 C24'
_cell_volume   1155.47617151
_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
  Fe  Fe0  1  0.00000000  0.16970800  0.16970800  1
  Fe  Fe1  1  0.00000000  0.83029200  0.83029200  1
  Fe  Fe2  1  0.83029200  0.16970800  0.00000000  1
  Fe  Fe3  1  0.16970800  0.83029200  0.00000000  1
  Fe  Fe4  1  0.00000000  0.16970800  0.83029200  1
  Fe  Fe5  1  0.00000000  0.83029200  0.16970800  1
  Fe  Fe6  1  0.16970800  0.16970800  0.00000000  1
  Fe  Fe7  1  0.83029200  0.83029200  0.00000000  1
  Fe  Fe8  1  0.16970800  0.00000000  0.83029200  1
  Fe  Fe9  1  0.83029200  0.00000000  0.16970800  1
  Fe  Fe10  1  0.16970800  0.00000000  0.16970800  1
  Fe  Fe11  1  0.83029200  0.00000000  0.83029200  1
  Fe  Fe12  1  0.50000000  0.66970800  0.16970800  1
  Fe  Fe13  1  0.50000000  0.33029200  0.83029200  1
  Fe  Fe14  1  0.33029200  0.66970800  0.00000000  1
  Fe  Fe15  1  0.66970800  0.33029200  0.00000000  1
  Fe  Fe16  1  0.50000000  0.66970800  0.83029200  1
  Fe  Fe17  1  0.50000000  0.33029200  0.16970800  1
  Fe  Fe18  1  0.66970800  0.66970800  0.00000000  1
  Fe  Fe19  1  0.33029200  0.33029200  0.00000000  1
  Fe  Fe20  1  0.66970800  0.50000000  0.83029200  1
  Fe  Fe21  1  0.33029200  0.50000000  0.16970800  1
  Fe  Fe22  1  0.66970800  0.50000000  0.16970800  1
  Fe  Fe23  1  0.33029200  0.50000000  0.83029200  1
  Fe  Fe24  1  0.50000000  0.16970800  0.66970800  1
  Fe  Fe25  1  0.50000000  0.83029200  0.33029200  1
  Fe  Fe26  1  0.33029200  0.16970800  0.50000000  1
  Fe  Fe27  1  0.66970800  0.83029200  0.50000000  1
  Fe  Fe28  1  0.50000000  0.16970800  0.33029200  1
  Fe  Fe29  1  0.50000000  0.83029200  0.66970800  1
  Fe  Fe30  1  0.66970800  0.16970800  0.50000000  1
  Fe  Fe31  1  0.33029200  0.83029200  0.50000000  1
  Fe  Fe32  1  0.66970800  0.00000000  0.33029200  1
  Fe  Fe33  1  0.33029200  0.00000000  0.66970800  1
  Fe  Fe34  1  0.66970800  0.00000000  0.66970800  1
  Fe  Fe35  1  0.33029200  0.00000000  0.33029200  1
  Fe  Fe36  1  0.00000000  0.66970800  0.66970800  1
  Fe  Fe37  1  0.00000000  0.33029200  0.33029200  1
  Fe  Fe38  1  0.83029200  0.66970800  0.50000000  1
  Fe  Fe39  1  0.16970800  0.33029200  0.50000000  1
  Fe  Fe40  1  0.00000000  0.66970800  0.33029200  1
  Fe  Fe41  1  0.00000000  0.33029200  0.66970800  1
  Fe  Fe42  1  0.16970800  0.66970800  0.50000000  1
  Fe  Fe43  1  0.83029200  0.33029200  0.50000000  1
  Fe  Fe44  1  0.16970800  0.50000000  0.33029200  1
  Fe  Fe45  1  0.83029200  0.50000000  0.66970800  1
  Fe  Fe46  1  0.16970800  0.50000000  0.66970800  1
  Fe  Fe47  1  0.83029200  0.50000000  0.33029200  1
  Fe  Fe48  1  0.11645400  0.11645400  0.38354600  1
  Fe  Fe49  1  0.88354600  0.88354600  0.61645400  1
  Fe  Fe50  1  0.61645400  0.11645400  0.11645400  1
  Fe  Fe51  1  0.38354600  0.88354600  0.88354600  1
  Fe  Fe52  1  0.88354600  0.11645400  0.61645400  1
  Fe  Fe53  1  0.11645400  0.88354600  0.38354600  1
  Fe  Fe54  1  0.38354600  0.11645400  0.88354600  1
  Fe  Fe55  1  0.61645400  0.88354600  0.11645400  1
  Fe  Fe56  1  0.11645400  0.88354600  0.61645400  1
  Fe  Fe57  1  0.88354600  0.11645400  0.38354600  1
  Fe  Fe58  1  0.61645400  0.88354600  0.88354600  1
  Fe  Fe59  1  0.38354600  0.11645400  0.11645400  1
  Fe  Fe60  1  0.88354600  0.88354600  0.38354600  1
  Fe  Fe61  1  0.11645400  0.11645400  0.61645400  1
  Fe  Fe62  1  0.38354600  0.88354600  0.11645400  1
  Fe  Fe63  1  0.61645400  0.11645400  0.88354600  1
  Fe  Fe64  1  0.11645400  0.38354600  0.11645400  1
  Fe  Fe65  1  0.88354600  0.61645400  0.88354600  1
  Fe  Fe66  1  0.11645400  0.61645400  0.88354600  1
  Fe  Fe67  1  0.88354600  0.38354600  0.11645400  1
  Fe  Fe68  1  0.88354600  0.61645400  0.11645400  1
  Fe  Fe69  1  0.11645400  0.38354600  0.88354600  1
  Fe  Fe70  1  0.88354600  0.38354600  0.88354600  1
  Fe  Fe71  1  0.11645400  0.61645400  0.11645400  1
  Fe  Fe72  1  0.61645400  0.61645400  0.38354600  1
  Fe  Fe73  1  0.38354600  0.38354600  0.61645400  1
  Fe  Fe74  1  0.38354600  0.61645400  0.61645400  1
  Fe  Fe75  1  0.61645400  0.38354600  0.38354600  1
  Fe  Fe76  1  0.61645400  0.38354600  0.61645400  1
  Fe  Fe77  1  0.38354600  0.61645400  0.38354600  1
  Fe  Fe78  1  0.38354600  0.38354600  0.38354600  1
  Fe  Fe79  1  0.61645400  0.61645400  0.61645400  1
  Fe  Fe80  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe81  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe82  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe83  1  0.00000000  0.50000000  0.50000000  1
  Mo  Mo84  1  0.25000000  0.25000000  0.25000000  1
  Mo  Mo85  1  0.75000000  0.75000000  0.75000000  1
  Mo  Mo86  1  0.75000000  0.25000000  0.25000000  1
  Mo  Mo87  1  0.25000000  0.75000000  0.75000000  1
  Mo  Mo88  1  0.75000000  0.25000000  0.75000000  1
  Mo  Mo89  1  0.25000000  0.75000000  0.25000000  1
  Mo  Mo90  1  0.25000000  0.25000000  0.75000000  1
  Mo  Mo91  1  0.75000000  0.75000000  0.25000000  1
  C  C92  1  0.00000000  0.00000000  0.27978000  1
  C  C93  1  0.00000000  0.00000000  0.72022000  1
  C  C94  1  0.72022000  0.00000000  0.00000000  1
  C  C95  1  0.27978000  0.00000000  0.00000000  1
  C  C96  1  0.00000000  0.27978000  0.00000000  1
  C  C97  1  0.00000000  0.72022000  0.00000000  1
  C  C98  1  0.50000000  0.50000000  0.27978000  1
  C  C99  1  0.50000000  0.50000000  0.72022000  1
  C  C100  1  0.22022000  0.50000000  0.00000000  1
  C  C101  1  0.77978000  0.50000000  0.00000000  1
  C  C102  1  0.50000000  0.77978000  0.00000000  1
  C  C103  1  0.50000000  0.22022000  0.00000000  1
  C  C104  1  0.50000000  0.00000000  0.77978000  1
  C  C105  1  0.50000000  0.00000000  0.22022000  1
  C  C106  1  0.22022000  0.00000000  0.50000000  1
  C  C107  1  0.77978000  0.00000000  0.50000000  1
  C  C108  1  0.50000000  0.27978000  0.50000000  1
  C  C109  1  0.50000000  0.72022000  0.50000000  1
  C  C110  1  0.00000000  0.50000000  0.77978000  1
  C  C111  1  0.00000000  0.50000000  0.22022000  1
  C  C112  1  0.72022000  0.50000000  0.50000000  1
  C  C113  1  0.27978000  0.50000000  0.50000000  1
  C  C114  1  0.00000000  0.77978000  0.50000000  1
  C  C115  1  0.00000000  0.22022000  0.50000000  1
