data_[Cd2In28Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.1015]
_cell_length_b [6.7298]
_cell_length_c [11.7346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CdIn14Bi]
_chemical_formula_sum '[Cd2 In28 Bi2]'
_cell_volume [876.7122]
_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
[
  Cd  Cd0  2  0.5000  0.0000  0.9615  1
  In  In1  8  0.2487  0.2458  0.8736  1
  In  In2  4  0.0000  0.2466  0.0431  1
  In  In3  4  0.2459  0.0000  0.6250  1
  In  In4  4  0.2530  0.0000  0.1237  1
  In  In5  4  0.5000  0.2463  0.7100  1
  In  In6  2  0.0000  0.0000  0.2912  1
  In  In7  2  0.0000  0.0000  0.7925  1
  Bi  Bi8  2  0.5000  0.0000  0.4570  1
]