data_CrCuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   144.9
_cell_angle_beta   144.9
_cell_angle_gamma   50.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuP
_chemical_formula_sum   'Cr1 Cu1 P1'
_cell_volume   36.57
_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  0.2  1.0
  Cu  Cu1  1  0.0  0.0  0.86  1.0
  P  P2  1  0.0  0.0  0.65  1.0

data_CrCuP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   115.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCuP
_chemical_formula_sum   'Cr2 Cu2 P2'
_cell_volume   73.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.2  0.0  0.2  1.0
  Cu  Cu1  2  0.36  0.5  0.86  1.0
  P  P2  2  0.15  0.5  0.65  1.0

Cr Cu P
Cr Cu P 0 1 o o - 1 2 o o o 