data_[K12Te12O24F12]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0658]
_cell_length_b [14.8400]
_cell_length_c [12.6916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KTeO2F]
_chemical_formula_sum '[K12 Te12 O24 F12]'
_cell_volume [1033.6925]
_cell_formula_units_Z [12]
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  0.1497  0.6862  0.8670  1
  K  K1  4  0.2092  0.1805  0.9842  1
  K  K2  4  0.3317  0.5683  0.6003  1
  Te  Te3  4  0.0663  0.5530  0.2729  1
  Te  Te4  4  0.3188  0.0409  0.5847  1
  Te  Te5  4  0.4371  0.6848  0.2007  1
  O  O6  4  0.1357  0.0226  0.8975  1
  O  O7  4  0.1664  0.7487  0.6788  1
  O  O8  4  0.1877  0.0523  0.6978  1
  O  O9  4  0.2631  0.5967  0.0769  1
  O  O10  4  0.3511  0.5298  0.8202  1
  O  O11  4  0.3967  0.6040  0.3252  1
  F  F12  4  0.0050  0.1519  0.1238  1
  F  F13  4  0.3596  0.1820  0.6148  1
  F  F14  4  0.4596  0.7367  0.5658  1
]