data_[Tl4Ag2Sb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.6475]
_cell_length_b [8.4030]
_cell_length_c [7.7245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2AgSbSe4]
_chemical_formula_sum '[Tl4 Ag2 Sb2 Se8]'
_cell_volume [510.5574]
_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
[
  Tl  Tl0  2  0.0000  0.0724  0.0000  1.0
  Tl  Tl1  2  0.0000  0.2242  0.5000  1.0
  Ag  Ag2  2  0.0000  0.4871  0.0000  1.0
  Sb  Sb3  2  0.0000  0.7239  0.5000  1.0
  Se  Se4  4  0.1672  0.5498  0.4439  1.0
  Se  Se5  4  0.2049  0.8890  0.8742  1.0
]