# generated using pymatgen
data_CrFeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06820117
_cell_length_b   5.89749892
_cell_length_c   5.27295615
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeP2
_chemical_formula_sum   'Cr2 Fe2 P4'
_cell_volume   95.41262865
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.50000000  0.49464000  0.05070400  1
  Cr  Cr1  1  0.50000000  0.99464000  0.94929600  1
  Fe  Fe2  1  0.00000000  0.50586700  0.44531500  1
  Fe  Fe3  1  0.00000000  0.00586700  0.55468500  1
  P  P4  1  0.50000000  0.31103300  0.67696600  1
  P  P5  1  0.50000000  0.81103300  0.32303400  1
  P  P6  1  0.00000000  0.68846000  0.80957700  1
  P  P7  1  0.00000000  0.18846000  0.19042300  1
