data_[K4Te2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2527]
_cell_length_b [8.5697]
_cell_length_c [14.1466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2TeI6]
_chemical_formula_sum '[K4 Te2 I12]'
_cell_volume [815.7023]
_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  0.2756  0.5861  0.2552  1.0
  Te  Te1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1614  0.5041  0.7506  1.0
  I  I3  4  0.2254  0.2076  0.5368  1.0
  I  I4  4  0.3439  0.6923  0.5511  1.0
]