data_CdNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   4.12
_cell_angle_alpha   103.22
_cell_angle_beta   103.22
_cell_angle_gamma   35.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiP2
_chemical_formula_sum   'Cd1 Ni1 P2'
_cell_volume   73.99
_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
  Cd  Cd0  1  0.33  0.0  1.0  1.0
  Ni  Ni1  1  0.32  0.0  1.0  1.0
  P  P2  1  0.93  0.0  0.03  1.0
  P  P3  1  0.96  0.0  0.98  1.0

data_CdNiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.12
_cell_length_c   5.61
_cell_angle_alpha   103.22
_cell_angle_beta   107.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiP2
_chemical_formula_sum   'Cd1 Ni1 P2'
_cell_volume   73.99
_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
  Cd  Cd0  1  0.0  1.0  0.33  1.0
  Ni  Ni1  1  0.0  1.0  0.32  1.0
  P  P2  1  0.0  0.03  0.93  1.0
  P  P3  1  0.0  0.98  0.96  1.0

Cd Ni P P