data_CuNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   146.43
_cell_angle_beta   145.39
_cell_angle_gamma   48.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiP2
_chemical_formula_sum   'Cu1 Ni1 P2'
_cell_volume   54.12
_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
  Cu  Cu0  1  0.61  0.0  0.51  1.0
  Ni  Ni1  1  0.0  0.0  0.33  1.0
  P  P2  1  0.61  0.0  0.66  1.0
  P  P3  1  0.0  0.0  0.72  1.0

data_CuNiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.31
_cell_length_c   5.57
_cell_angle_alpha   107.3
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiP2
_chemical_formula_sum   'Cu1 Ni1 P2'
_cell_volume   54.12
_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
  Cu  Cu0  1  0.1  0.49  0.1  1.0
  Ni  Ni1  1  0.67  0.67  0.67  1.0
  P  P2  1  0.28  0.28  0.28  1.0
  P  P3  1  0.95  0.34  0.95  1.0

Cu Ni P P