data_[K4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8225]
_cell_length_b [9.3558]
_cell_length_c [6.2557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTe3]
_chemical_formula_sum '[K4 Te12]'
_cell_volume [595.6498]
_cell_formula_units_Z [4]
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  0.1891  0.5000  0.3406  1
  Te  Te1  8  0.1111  0.3070  0.7657  1
  Te  Te2  4  0.0385  0.0000  0.7836  1
]