data_[K8Te12O40]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5211]
_cell_length_b [6.0900]
_cell_length_c [8.5832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Te3O10]
_chemical_formula_sum '[K8 Te12 O40]'
_cell_volume [897.3445]
_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  0.1186  0.5000  0.7179  1
  K  K1  4  0.2075  0.5000  0.3278  1
  Te  Te2  4  0.0000  0.2495  0.0000  1
  Te  Te3  4  0.0885  0.0000  0.5129  1
  Te  Te4  4  0.1815  0.0000  0.0089  1
  O  O5  8  0.1023  0.2493  0.9892  1
  O  O6  8  0.1420  0.2372  0.4825  1
  O  O7  4  0.0000  0.2026  0.5000  1
  O  O8  4  0.0301  0.5000  0.1625  1
  O  O9  4  0.0305  0.0000  0.1662  1
  O  O10  4  0.1430  0.0000  0.7632  1
  O  O11  4  0.2197  0.0000  0.2379  1
  O  O12  4  0.2500  0.2500  0.0000  1
]