data_BaCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   134.68
_cell_angle_beta   127.61
_cell_angle_gamma   71.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Bi
_chemical_formula_sum   'Ba1 Cd2 Bi1'
_cell_volume   134.33
_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
  Ba  Ba0  1  0.0  0.0  0.06  1.0
  Cd  Cd2  1  0.0  0.0  0.05  1.0
  Cd  Cd3  1  0.41  0.0  0.26  1.0
  Bi  Bi1  1  0.0  0.76  0.75  1.0

data_BaCd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   5.51
_cell_length_c   6.25
_cell_angle_alpha   116.2
_cell_angle_beta   112.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Bi
_chemical_formula_sum   'Ba1 Cd2 Bi1'
_cell_volume   134.33
_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
  Ba  Ba0  1  0.94  0.94  0.94  1.0
  Cd  Cd1  1  0.14  0.74  0.14  1.0
  Cd  Cd2  1  0.95  0.95  0.95  1.0
  Bi  Bi3  1  0.25  0.01  0.01  1.0

Ba Cd Cd Bi