data_[Ca10Cd2Bi8]
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 [C2/m]
_cell_length_a [16.0416]
_cell_length_b [5.6463]
_cell_length_c [6.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5CdBi4]
_chemical_formula_sum '[Ca10 Cd2 Bi8]'
_cell_volume [620.0324]
_cell_formula_units_Z [2]
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  0.1037  0.0000  0.8889  1.0
  Ca  Ca1  4  0.2063  0.5000  0.3064  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.0957  0.0000  0.3607  1.0
  Bi  Bi5  4  0.1895  0.5000  0.8018  1.0
]