data_CdNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.66
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Bi
_chemical_formula_sum   'Cd1 Ni2 Bi1'
_cell_volume   71.43
_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  Cd1  1  0.0  0.0  0.73  1.0
  Ni  Ni2  1  0.68  0.83  0.75  1.0
  Ni  Ni3  1  0.0  0.0  0.47  1.0
  Bi  Bi0  1  0.68  0.83  0.58  1.0

data_CdNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.66
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Bi
_chemical_formula_sum   'Cd1 Ni2 Bi1'
_cell_volume   71.43
_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  0.0  0.73  1.0
  Ni  Ni1  1  0.0  0.0  0.47  1.0
  Ni  Ni2  1  0.68  0.83  0.75  1.0
  Bi  Bi3  1  0.68  0.83  0.58  1.0

Cd Ni Ni Bi