data_[Tl4Te2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7335]
_cell_length_b [5.5765]
_cell_length_c [8.3400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2TeSe5]
_chemical_formula_sum '[Tl4 Te2 Se10]'
_cell_volume [568.5729]
_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  0.2424  0.0000  0.6421  1
  Tl  Tl1  2  0.2507  0.5000  0.0750  1
  Te  Te2  2  0.0287  0.0000  0.0746  1
  Se  Se3  4  0.0021  0.2862  0.3331  1
  Se  Se4  4  0.4813  0.2142  0.7517  1
  Se  Se5  2  0.2344  0.0000  0.2617  1
]