data_CaCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.33
_cell_angle_alpha   102.43
_cell_angle_beta   102.43
_cell_angle_gamma   37.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Bi
_chemical_formula_sum   'Ca1 Cd2 Bi1'
_cell_volume   112.03
_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  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.89  0.0  0.9  1.0
  Cd  Cd3  1  0.23  0.0  0.3  1.0
  Bi  Bi0  1  0.06  0.0  0.6  1.0

data_CaCd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.33
_cell_length_c   5.98
_cell_angle_alpha   102.43
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Bi
_chemical_formula_sum   'Ca1 Cd2 Bi1'
_cell_volume   112.03
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.3  0.23  1.0
  Cd  Cd2  1  0.0  0.9  0.89  1.0
  Bi  Bi3  1  0.0  0.6  0.06  1.0

Ca Cd Cd Bi