data_[K12Ga8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3178]
_cell_length_b [11.8895]
_cell_length_c [7.6399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(GaTe2)2]
_chemical_formula_sum '[K12 Ga8 Te16]'
_cell_volume [1391.0168]
_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  8  0.1211  0.1326  0.5452  1.0
  K  K1  4  0.0000  0.3979  0.2500  1.0
  Ga  Ga2  8  0.2076  0.3756  0.9279  1.0
  Te  Te3  8  0.1189  0.1796  0.0282  1.0
  Te  Te4  8  0.1649  0.4268  0.5886  1.0
]