data_[K6Te2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9561]
_cell_length_b [6.3463]
_cell_length_c [6.8860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3TeF6]
_chemical_formula_sum '[K6 Te2 F12]'
_cell_volume [397.1807]
_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  0.2464  0.5000  0.2172  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Te  Te2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.0746  0.2885  0.8200  1
  F  F4  4  0.2205  0.5000  0.5918  1
]