data_[K2Tl1Te1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P1]
_cell_length_a [7.4747]
_cell_length_b [7.8646]
_cell_length_c [8.0757]
_cell_angle_alpha [61.4644]
_cell_angle_beta [89.5894]
_cell_angle_gamma [63.9027]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2TlTeCl6]
_chemical_formula_sum '[K2 Tl1 Te1 Cl6]'
_cell_volume [361.9365]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.4617  0.0659  0.4102  1.0
  K  K1  1  0.9824  0.0618  0.9359  1.0
  Tl  Tl2  1  0.1837  0.6273  0.5549  1.0
  Te  Te3  1  0.6761  0.6494  0.0296  1.0
  Cl  Cl4  1  0.0417  0.1234  0.2758  1.0
  Cl  Cl5  1  0.3189  0.1372  0.7463  1.0
  Cl  Cl6  1  0.4277  0.5519  0.2285  1.0
  Cl  Cl7  1  0.5840  0.5461  0.7959  1.0
  Cl  Cl8  1  0.7752  0.7753  0.2397  1.0
  Cl  Cl9  1  0.8871  0.7849  0.7984  1.0
]