data_[K12Te6]
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 [P31m]
_cell_length_a [16.3188]
_cell_length_b [16.3188]
_cell_length_c [17.8990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [K2Te]
_chemical_formula_sum '[K12 Te6]'
_cell_volume [4127.9839]
_cell_formula_units_Z [6]
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  6  0.1411  0.5522  0.5722  1
  K  K1  3  0.0000  0.6751  0.4110  1
  K  K2  2  0.3333  0.6667  0.4102  1
  K  K3  1  0.0000  0.0000  0.5371  1
  Te  Te4  6  0.2023  0.7589  0.4961  1
]