data_CrCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   139.13
_cell_angle_beta   139.13
_cell_angle_gamma   59.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuP2
_chemical_formula_sum   'Cr1 Cu1 P2'
_cell_volume   52.9
_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  0.35  1.0
  Cu  Cu1  1  0.0  0.74  0.17  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.74  0.0  0.17  1.0

data_CrCuP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   5.0
_cell_angle_alpha   110.44
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuP2
_chemical_formula_sum   'Cr1 Cu1 P2'
_cell_volume   52.9
_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  0.35  0.35  0.35  1.0
  Cu  Cu1  1  0.43  0.17  0.43  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.17  0.43  0.43  1.0

Cr Cu P P