data_[K6Gd2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Gd  1.2000  1.8000  1.0750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [16.6575]
_cell_length_b [17.3009]
_cell_length_c [10.2216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [K3GdTe3]
_chemical_formula_sum '[K6 Gd2 Te6]'
_cell_volume [2945.7675]
_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  0.4502  0.1929  0.2730  1
  K  K1  2  0.5000  0.0000  0.8559  1
  Gd  Gd2  2  0.5000  0.0000  0.4676  1
  Te  Te3  4  0.4565  0.1382  0.6081  1
  Te  Te4  2  0.5000  0.0000  0.1859  1
]