data_[Li4Tl4Ge8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6220]
_cell_length_b [13.2303]
_cell_length_c [6.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTl(GeSe3)2]
_chemical_formula_sum '[Li4 Tl4 Ge8 Se24]'
_cell_volume [1129.7895]
_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  0.2208  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1814  0.2500  1.0
  Ge  Ge2  8  0.2080  0.4206  0.2676  1.0
  Se  Se3  8  0.1024  0.0694  0.6205  1.0
  Se  Se4  8  0.1286  0.4409  0.5230  1.0
  Se  Se5  8  0.1503  0.2553  0.1200  1.0
]