data_CaCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   6.02
_cell_angle_alpha   101.68
_cell_angle_beta   101.68
_cell_angle_gamma   39.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Bi
_chemical_formula_sum   'Ca1 Cd2 Bi1'
_cell_volume   113.59
_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
  Ca  Ca1  1  0.66  0.0  0.42  1.0
  Cd  Cd2  1  0.02  0.0  0.23  1.0
  Cd  Cd3  1  0.51  0.0  0.22  1.0
  Bi  Bi0  1  0.53  0.0  0.95  1.0

data_CaCd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.54
_cell_length_c   6.02
_cell_angle_alpha   101.68
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Bi
_chemical_formula_sum   'Ca1 Cd2 Bi1'
_cell_volume   113.59
_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
  Ca  Ca0  1  0.0  0.34  0.58  1.0
  Cd  Cd1  1  0.0  0.49  0.78  1.0
  Cd  Cd2  1  0.0  0.98  0.77  1.0
  Bi  Bi3  1  0.0  0.47  0.05  1.0

Ca Cd Cd Bi