# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14363097
_cell_length_b   5.78732421
_cell_length_c   53.22510161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe16 P16'
_cell_volume   968.335538877
_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  0.749258  0.003889  0.310688  1
  Fe  Fe2  1  0.249258  0.993875  0.356062  1
  Fe  Fe3  1  0.249258  0.491086  0.365018  1
  Fe  Fe4  1  0.749258  0.518280  0.302790  1
  Fe  Fe5  1  0.749258  0.012940  0.420662  1
  Fe  Fe6  1  0.249258  0.993562  0.467087  1
  Fe  Fe7  1  0.249258  0.493502  0.476330  1
  Fe  Fe8  1  0.749258  0.512545  0.411540  1
  Fe  Fe9  1  0.749258  0.012748  0.531955  1
  Fe  Fe10  1  0.249258  0.993370  0.578380  1
  Fe  Fe11  1  0.249258  0.493766  0.587501  1
  Fe  Fe12  1  0.749258  0.512809  0.522712  1
  Fe  Fe13  1  0.749258  0.012435  0.642980  1
  Fe  Fe14  1  0.249258  1.002421  0.688353  1
  Fe  Fe15  1  0.249258  0.488031  0.696251  1
  Fe  Fe16  1  0.749258  0.515224  0.634024  1
  P  P17  1  0.749258  0.235537  0.379488  1
  P  P18  1  0.249258  0.786766  0.284034  1
  P  P19  1  0.249258  0.268510  0.323082  1
  P  P20  1  0.749258  0.733907  0.341751  1
  P  P21  1  0.749258  0.235192  0.490907  1
  P  P22  1  0.249258  0.771027  0.396935  1
  P  P23  1  0.249258  0.270961  0.435262  1
  P  P24  1  0.749258  0.735254  0.452525  1
  P  P25  1  0.749258  0.235284  0.602107  1
  P  P26  1  0.249258  0.771119  0.508135  1
  P  P27  1  0.249258  0.271057  0.546517  1
  P  P28  1  0.749258  0.735349  0.563780  1
  P  P29  1  0.749258  0.219545  0.715008  1
  P  P30  1  0.249258  0.770774  0.619554  1
  P  P31  1  0.249258  0.272404  0.657291  1
  P  P32  1  0.749258  0.737800  0.675960  1
