data_Cd2NiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.33
_cell_angle_alpha   99.1
_cell_angle_beta   99.1
_cell_angle_gamma   33.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiMo
_chemical_formula_sum   'Cd2 Ni1 Mo1'
_cell_volume   68.16
_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  0.08  0.0  0.01  1.0
  Cd  Cd1  1  0.64  0.0  0.9  1.0
  Ni  Ni3  1  0.74  0.0  0.52  1.0
  Mo  Mo2  1  0.12  0.0  0.46  1.0

data_Cd2NiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.84
_cell_length_c   5.33
_cell_angle_alpha   99.1
_cell_angle_beta   90.0
_cell_angle_gamma   106.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiMo
_chemical_formula_sum   'Cd2 Ni1 Mo1'
_cell_volume   68.16
_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  0.36  0.1  1.0
  Cd  Cd1  1  0.0  0.92  0.99  1.0
  Ni  Ni2  1  0.0  0.26  0.48  1.0
  Mo  Mo3  1  0.0  0.88  0.54  1.0

Cd Cd Ni Mo