data_[Li4Ge8Bi4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2502]
_cell_length_b [12.4890]
_cell_length_c [6.7834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiGe2BiSe6]
_chemical_formula_sum '[Li4 Ge8 Bi4 Se24]'
_cell_volume [1093.4555]
_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
[
  Li  Li0  4  0.0000  0.2840  0.7500  1.0
  Ge  Ge1  8  0.2001  0.4169  0.2767  1.0
  Bi  Bi2  4  0.0000  0.1198  0.2500  1.0
  Se  Se3  8  0.1139  0.0905  0.6754  1.0
  Se  Se4  8  0.1355  0.4244  0.5816  1.0
  Se  Se5  8  0.1359  0.2586  0.0949  1.0
]