# generated using pymatgen
data_CrFeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75351008
_cell_length_b   3.53399457
_cell_length_c   6.55566491
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeP
_chemical_formula_sum   'Cr4 Fe4 P4'
_cell_volume   133.29550454
_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
  Cr  Cr0  1  0.75000000  0.97627900  0.17011400  1
  Cr  Cr1  1  0.25000000  0.02372100  0.82988600  1
  Cr  Cr2  1  0.75000000  0.47627900  0.32988600  1
  Cr  Cr3  1  0.25000000  0.52372100  0.67011400  1
  Fe  Fe4  1  0.25000000  0.64419300  0.06187000  1
  Fe  Fe5  1  0.75000000  0.35580700  0.93813000  1
  Fe  Fe6  1  0.25000000  0.14419300  0.43813000  1
  Fe  Fe7  1  0.75000000  0.85580700  0.56187000  1
  P  P8  1  0.25000000  0.26531700  0.12322600  1
  P  P9  1  0.75000000  0.73468300  0.87677400  1
  P  P10  1  0.25000000  0.76531700  0.37677400  1
  P  P11  1  0.75000000  0.23468300  0.62322600  1
