data_[Tl6Sb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmn2_1]
_cell_length_a [9.4987]
_cell_length_b [9.6915]
_cell_length_c [6.5909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl3SbSe4]
_chemical_formula_sum '[Tl6 Sb2 Se8]'
_cell_volume [606.7339]
_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  4  0.1951  0.3315  0.9288  1.0
  Tl  Tl1  2  0.0000  0.0984  0.4364  1.0
  Sb  Sb2  2  0.0000  0.7866  0.0233  1.0
  Se  Se3  4  0.2250  0.6690  0.9138  1.0
  Se  Se4  2  0.0000  0.0379  0.9317  1.0
  Se  Se5  2  0.0000  0.7668  0.4081  1.0
]