data_CrFeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   139.79
_cell_angle_beta   118.22
_cell_angle_gamma   76.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeP2
_chemical_formula_sum   'Cr1 Fe1 P2'
_cell_volume   46.53
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.44  1.0
  P  P2  1  0.5  0.0  0.77  1.0
  P  P3  1  0.0  0.25  0.67  1.0

data_CrFeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   61.78
_cell_angle_beta   69.9
_cell_angle_gamma   69.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeP2
_chemical_formula_sum   'Cr1 Fe1 P2'
_cell_volume   46.53
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.44  1.0
  P  P2  1  0.0  0.5  0.77  1.0
  P  P3  1  0.25  0.0  0.42  1.0

Cr Fe P P