data_[Tl4Te2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5033]
_cell_length_b [7.4952]
_cell_length_c [7.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2TeCl5]
_chemical_formula_sum '[Tl4 Te2 Cl10]'
_cell_volume [581.3479]
_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  0.2610  0.0000  0.6713  1
  Tl  Tl1  2  0.2868  0.5000  0.2883  1
  Te  Te2  2  0.4780  0.5000  0.9890  1
  Cl  Cl3  4  0.4715  0.2620  0.2145  1
  Cl  Cl4  4  0.4932  0.2604  0.7706  1
  Cl  Cl5  2  0.2675  0.0000  0.3043  1
]