data_[K6La4Th2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0250]
_cell_length_b [13.8984]
_cell_length_c [8.7138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3La2ThTe6]
_chemical_formula_sum '[K6 La4 Th2 Te12]'
_cell_volume [924.9198]
_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  4  0.0000  0.1688  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  La  La2  4  0.0000  0.3336  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2352  0.1626  0.2181  1
  Te  Te5  4  0.2479  0.5000  0.2185  1
]