data_[K2Cu2Te2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8670]
_cell_length_b [13.2987]
_cell_length_c [7.2345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KCuTeBr6]
_chemical_formula_sum '[K2 Cu2 Te2 Br12]'
_cell_volume [655.2704]
_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  2  0.0000  0.9767  0.5000  1.0
  Cu  Cu1  2  0.0000  0.3749  0.0000  1.0
  Te  Te2  2  0.0000  0.6663  0.0000  1.0
  Br  Br3  4  0.1577  0.5063  0.8139  1.0
  Br  Br4  4  0.2106  0.1813  0.7113  1.0
  Br  Br5  4  0.2191  0.8025  0.8140  1.0
]