data_[Li8Tl16Cr8S32]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7339]
_cell_length_b [12.6395]
_cell_length_c [22.8990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [LiTl2CrS4]
_chemical_formula_sum '[Li8 Tl16 Cr8 S32]'
_cell_volume [1659.5614]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  16  0.0000  0.0000  0.1859  1.0
  Cr  Cr2  8  0.0000  0.0000  0.5000  1.0
  S  S3  32  0.0357  0.1499  0.6976  1.0
]