data_[K16Te8O40]
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 [Immm]
_cell_length_a [6.6507]
_cell_length_b [13.3354]
_cell_length_c [23.6089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K2TeO5]
_chemical_formula_sum '[K16 Te8 O40]'
_cell_volume [2093.8591]
_cell_formula_units_Z [8]
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  8  0.0000  0.2148  0.3358  1
  K  K1  4  0.0000  0.5000  0.2642  1
  K  K2  4  0.0000  0.5000  0.4062  1
  Te  Te3  8  0.0000  0.1169  0.1635  1
  O  O4  16  0.2146  0.3751  0.3368  1
  O  O5  8  0.0000  0.2114  0.2256  1
  O  O6  8  0.0000  0.2142  0.1031  1
  O  O7  4  0.0000  0.0000  0.1094  1
  O  O8  4  0.0000  0.0000  0.2190  1
]