data_[K2Ga2Te6]
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 [P1]
_cell_length_a [7.4776]
_cell_length_b [7.9344]
_cell_length_c [8.0301]
_cell_angle_alpha [62.6681]
_cell_angle_beta [74.3990]
_cell_angle_gamma [88.0733]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KGaTe3]
_chemical_formula_sum '[K2 Ga2 Te6]'
_cell_volume [405.3925]
_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  1  0.0050  0.5690  0.3144  1.0
  K  K1  1  0.6181  0.9565  0.6366  1.0
  Ga  Ga2  1  0.4487  0.2048  0.0910  1.0
  Ga  Ga3  1  0.9650  0.1940  0.9921  1.0
  Te  Te4  1  0.1035  0.0494  0.2956  1.0
  Te  Te5  1  0.2345  0.2364  0.6733  1.0
  Te  Te6  1  0.4974  0.4488  0.7145  1.0
  Te  Te7  1  0.5608  0.4255  0.2205  1.0
  Te  Te8  1  0.6825  0.9444  0.0949  1.0
  Te  Te9  1  0.8767  0.5514  0.8945  1.0
]