data_[K2Th2Te4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2410]
_cell_length_b [4.5487]
_cell_length_c [9.9197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KThTe2Cl]
_chemical_formula_sum '[K2 Th2 Te4 Cl2]'
_cell_volume [402.2086]
_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
[
  K  K0  2  0.2688  0.2500  0.6854  1
  Th  Th1  2  0.1760  0.2500  0.1797  1
  Te  Te2  2  0.1451  0.7500  0.3812  1
  Te  Te3  2  0.1789  0.7500  0.9549  1
  Cl  Cl4  2  0.4764  0.2500  0.2518  1
]