data_[Li4Tl4Sb2Se8]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4309]
_cell_length_b [4.1054]
_cell_length_c [7.7271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Tl2SbSe4]
_chemical_formula_sum '[Li4 Tl4 Sb2 Se8]'
_cell_volume [452.9541]
_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
[
  Li  Li0  4  0.1824  0.5000  0.9871  1.0
  Tl  Tl1  4  0.1391  0.0000  0.5558  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0133  0.5000  0.7538  1.0
  Se  Se4  4  0.1982  0.0000  0.1888  1.0
]