data_[Tl2Sb2Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3743]
_cell_length_b [4.4882]
_cell_length_c [4.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlSbTe2]
_chemical_formula_sum '[Tl2 Sb2 Te4]'
_cell_volume [286.4568]
_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  0.4885  0.0000  0.3621  1.0
  Sb  Sb1  2  0.2303  0.0000  0.9315  1.0
  Te  Te2  2  0.0271  0.0000  0.8574  1.0
  Te  Te3  2  0.2542  0.5000  0.3490  1.0
]