# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66077989
_cell_length_b   6.77340429
_cell_length_c   48.22262740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe16 P32'
_cell_volume   1848.98818532
_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  0.010570  0.961620  0.278484  1
  Fe  Fe2  1  0.495878  0.461620  0.278484  1
  Fe  Fe3  1  0.993165  0.754159  0.330425  1
  Fe  Fe4  1  0.513282  0.254159  0.330425  1
  Fe  Fe5  1  0.004472  0.531875  0.388342  1
  Fe  Fe6  1  0.501975  0.031875  0.388342  1
  Fe  Fe7  1  0.998673  0.323791  0.444035  1
  Fe  Fe8  1  0.507775  0.823791  0.444035  1
  Fe  Fe9  1  0.009094  0.053282  0.508971  1
  Fe  Fe10  1  0.497354  0.553282  0.508971  1
  Fe  Fe11  1  0.996993  0.850228  0.562846  1
  Fe  Fe12  1  0.509455  0.350228  0.562846  1
  Fe  Fe13  1  0.006779  0.583889  0.627258  1
  Fe  Fe14  1  0.499668  0.083889  0.627258  1
  Fe  Fe15  1  1.000720  0.378510  0.681554  1
  Fe  Fe16  1  0.505727  0.878510  0.681554  1
  P  P17  1  0.768974  0.229520  0.287783  1
  P  P18  1  0.217712  0.480799  0.309959  1
  P  P19  1  0.737474  0.729520  0.287783  1
  P  P20  1  0.288735  0.980799  0.309959  1
  P  P21  1  0.773885  0.021674  0.349626  1
  P  P22  1  0.233955  0.265683  0.368262  1
  P  P23  1  0.732562  0.521674  0.349626  1
  P  P24  1  0.272492  0.765683  0.368262  1
  P  P25  1  0.776111  0.799160  0.407872  1
  P  P26  1  0.232133  0.047943  0.427306  1
  P  P27  1  0.730337  0.299160  0.407872  1
  P  P28  1  0.274314  0.547943  0.427306  1
  P  P29  1  0.762483  0.569740  0.467390  1
  P  P30  1  0.243203  0.804854  0.486004  1
  P  P31  1  0.743964  0.069740  0.467390  1
  P  P32  1  0.263244  0.304854  0.486004  1
  P  P33  1  0.777058  0.327779  0.525903  1
  P  P34  1  0.229207  0.576390  0.545864  1
  P  P35  1  0.729389  0.827779  0.525903  1
  P  P36  1  0.277240  0.076390  0.545864  1
  P  P37  1  0.764178  0.099080  0.585887  1
  P  P38  1  0.243256  0.335859  0.604202  1
  P  P39  1  0.742269  0.599080  0.585887  1
  P  P40  1  0.263191  0.835859  0.604202  1
  P  P41  1  0.775884  0.856623  0.644693  1
  P  P42  1  0.232776  0.106864  0.663546  1
  P  P43  1  0.730564  0.356623  0.644693  1
  P  P44  1  0.273671  0.606864  0.663546  1
  P  P45  1  0.759009  0.624160  0.704451  1
  P  P46  1  0.251490  0.866715  0.721483  1
  P  P47  1  0.747438  0.124160  0.704451  1
  P  P48  1  0.254957  0.366715  0.721483  1
