data_[Sr8Cd4Bi4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2253]
_cell_length_b [19.0606]
_cell_length_c [13.1338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2CdBiSe5]
_chemical_formula_sum '[Sr8 Cd4 Bi4 Se20]'
_cell_volume [1057.7415]
_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
[
  Sr  Sr0  4  0.0000  0.0843  0.6526  1.0
  Sr  Sr1  4  0.0000  0.1185  0.3042  1.0
  Cd  Cd2  4  0.0000  0.4301  0.4437  1.0
  Bi  Bi3  4  0.0000  0.2358  0.0311  1.0
  Se  Se4  4  0.0000  0.0749  0.0638  1.0
  Se  Se5  4  0.0000  0.2541  0.6934  1.0
  Se  Se6  4  0.0000  0.2834  0.3760  1.0
  Se  Se7  4  0.0000  0.3794  0.9875  1.0
  Se  Se8  4  0.0000  0.4975  0.2715  1.0
]