data_[K12Na4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.9767]
_cell_length_b [16.9536]
_cell_length_c [7.1803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K3NaTe2]
_chemical_formula_sum '[K12 Na4 Te8]'
_cell_volume [971.0219]
_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  0.1975  0.1824  0.0000  1.0
  K  K1  4  0.0000  0.5000  0.2500  1.0
  Na  Na2  4  0.0000  0.0000  0.2500  1.0
  Te  Te3  8  0.2235  0.1153  0.5000  1.0
]