data_[Tl2Te2Cl2]
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 [Pma2]
_cell_length_a [4.8299]
_cell_length_b [9.9141]
_cell_length_c [17.2277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [TlTeCl]
_chemical_formula_sum '[Tl2 Te2 Cl2]'
_cell_volume [824.9305]
_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  0.2500  0.1462  0.4274  1
  Te  Te1  2  0.2500  0.4276  0.5567  1
  Cl  Cl2  2  0.2500  0.8584  0.5160  1
]