# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78416188
_cell_length_b   11.87767144
_cell_length_c   50.12231748
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe16 P64'
_cell_volume   4038.85863595
_cell_formula_units_Z   16
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  Fe1  1  0.749309  0.765537  0.376320  1
  Fe  Fe2  1  0.249309  0.758247  0.293845  1
  Fe  Fe3  1  0.749309  0.265537  0.376320  1
  Fe  Fe4  1  0.249309  0.258247  0.293845  1
  Fe  Fe5  1  0.749309  0.435439  0.487575  1
  Fe  Fe6  1  0.249309  0.427781  0.403560  1
  Fe  Fe7  1  0.749309  0.935439  0.487575  1
  Fe  Fe8  1  0.249309  0.927781  0.403560  1
  Fe  Fe9  1  0.749309  0.106178  0.598693  1
  Fe  Fe10  1  0.249309  0.098520  0.514678  1
  Fe  Fe11  1  0.749309  0.606178  0.598693  1
  Fe  Fe12  1  0.249309  0.598520  0.514678  1
  Fe  Fe13  1  0.749309  0.775712  0.708408  1
  Fe  Fe14  1  0.249309  0.768422  0.625933  1
  Fe  Fe15  1  0.749309  0.275712  0.708408  1
  Fe  Fe16  1  0.249309  0.268422  0.625933  1
  P  P17  1  0.488757  0.176390  0.361531  1
  P  P18  1  0.749309  0.101046  0.308272  1
  P  P19  1  0.986064  0.845513  0.307473  1
  P  P20  1  0.249309  0.082337  0.305231  1
  P  P21  1  0.512553  0.845513  0.307473  1
  P  P22  1  0.009860  0.176390  0.361531  1
  P  P23  1  0.249309  0.923663  0.360205  1
  P  P24  1  0.749309  0.939835  0.362505  1
  P  P25  1  0.488757  0.676390  0.361531  1
  P  P26  1  0.749309  0.601046  0.308272  1
  P  P27  1  0.986064  0.345513  0.307473  1
  P  P28  1  0.249309  0.582337  0.305231  1
  P  P29  1  0.512553  0.345513  0.307473  1
  P  P30  1  0.009860  0.676390  0.361531  1
  P  P31  1  0.249309  0.423663  0.360205  1
  P  P32  1  0.749309  0.439835  0.362505  1
  P  P33  1  0.487180  0.847533  0.473005  1
  P  P34  1  0.749309  0.770141  0.419718  1
  P  P35  1  0.986958  0.515942  0.417959  1
  P  P36  1  0.249309  0.753393  0.416895  1
  P  P37  1  0.511659  0.515942  0.417959  1
  P  P38  1  0.011438  0.847533  0.473005  1
  P  P39  1  0.249309  0.593412  0.471252  1
  P  P40  1  0.749309  0.609559  0.473956  1
  P  P41  1  0.487180  0.347533  0.473005  1
  P  P42  1  0.749309  0.270141  0.419718  1
  P  P43  1  0.986958  0.015942  0.417959  1
  P  P44  1  0.249309  0.253393  0.416895  1
  P  P45  1  0.511659  0.015942  0.417959  1
  P  P46  1  0.011438  0.347533  0.473005  1
  P  P47  1  0.249309  0.093412  0.471252  1
  P  P48  1  0.749309  0.109559  0.473956  1
  P  P49  1  0.486958  0.518017  0.584294  1
  P  P50  1  0.749309  0.440547  0.531000  1
  P  P51  1  0.987180  0.186426  0.529248  1
  P  P52  1  0.249309  0.424400  0.528297  1
  P  P53  1  0.511438  0.186426  0.529248  1
  P  P54  1  0.011659  0.518017  0.584294  1
  P  P55  1  0.249309  0.263818  0.582534  1
  P  P56  1  0.749309  0.280566  0.585357  1
  P  P57  1  0.486958  0.018017  0.584294  1
  P  P58  1  0.749309  0.940547  0.531000  1
  P  P59  1  0.987180  0.686426  0.529248  1
  P  P60  1  0.249309  0.924400  0.528297  1
  P  P61  1  0.511438  0.686426  0.529248  1
  P  P62  1  0.011659  0.018017  0.584294  1
  P  P63  1  0.249309  0.763818  0.582534  1
  P  P64  1  0.749309  0.780566  0.585357  1
  P  P65  1  0.486064  0.188446  0.694779  1
  P  P66  1  0.749309  0.110296  0.642048  1
  P  P67  1  0.988757  0.857569  0.640722  1
  P  P68  1  0.249309  0.094124  0.639748  1
  P  P69  1  0.509860  0.857569  0.640722  1
  P  P70  1  0.012553  0.188446  0.694779  1
  P  P71  1  0.249309  0.932913  0.693980  1
  P  P72  1  0.749309  0.951622  0.697021  1
  P  P73  1  0.486064  0.688446  0.694779  1
  P  P74  1  0.749309  0.610296  0.642048  1
  P  P75  1  0.988757  0.357569  0.640722  1
  P  P76  1  0.249309  0.594124  0.639748  1
  P  P77  1  0.509860  0.357569  0.640722  1
  P  P78  1  0.012553  0.688446  0.694779  1
  P  P79  1  0.249309  0.432913  0.693980  1
  P  P80  1  0.749309  0.451622  0.697021  1
