# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79600000
_cell_length_b   6.81200000
_cell_length_c   4.64500000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe12 P4'
_cell_volume   183.39552504
_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  0.68297000  0.54932000  0.35469000  1
  Fe  Fe1  1  0.31703000  0.45068000  0.64531000  1
  Fe  Fe2  1  0.81703000  0.45068000  0.85469000  1
  Fe  Fe3  1  0.18297000  0.54932000  0.14531000  1
  Fe  Fe4  1  0.31703000  0.04932000  0.64531000  1
  Fe  Fe5  1  0.68297000  0.95068000  0.35469000  1
  Fe  Fe6  1  0.18297000  0.95068000  0.14531000  1
  Fe  Fe7  1  0.81703000  0.04932000  0.85469000  1
  Fe  Fe8  1  0.49012000  0.25000000  0.10063000  1
  Fe  Fe9  1  0.50988000  0.75000000  0.89937000  1
  Fe  Fe10  1  0.00988000  0.75000000  0.60063000  1
  Fe  Fe11  1  0.99012000  0.25000000  0.39937000  1
  P  P12  1  0.61128000  0.25000000  0.56761000  1
  P  P13  1  0.38872000  0.75000000  0.43239000  1
  P  P14  1  0.88872000  0.75000000  0.06761000  1
  P  P15  1  0.11128000  0.25000000  0.93239000  1
