data_[Ca8Cd4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.6706]
_cell_length_b [8.3523]
_cell_length_c [8.0278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2CdBi2]
_chemical_formula_sum '[Ca8 Cd4 Bi8]'
_cell_volume [648.4161]
_cell_formula_units_Z [4]
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  4  0.0942  0.2430  0.4990  1.0
  Ca  Ca1  4  0.3474  0.7185  0.0064  1.0
  Cd  Cd2  4  0.3851  0.0861  0.1722  1.0
  Bi  Bi3  4  0.1230  0.5713  0.7470  1.0
  Bi  Bi4  4  0.3470  0.0793  0.7722  1.0
]