data_Ca2CdBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdBi
_chemical_formula_sum   'Ca2 Cd1 Bi1'
_cell_volume   118.28
_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  0.71  0.0  0.78  1.0
  Ca  Ca2  1  0.71  0.0  0.91  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.84  1.0

data_Ca2CdBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ca2CdBi
_chemical_formula_sum   'Ca2 Cd1 Bi1'
_cell_volume   118.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.71  0.0  0.78  1.0
  Ca  Ca1  1  0.71  0.0  0.91  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.84  1.0

Ca Ca Cd Bi
Ca Ca Cd Bi 0 3 + o o 0 1 o o o 1 3 + o o 1 2 + o + 2 3 o o - 