data_[Na18Te3Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2778]
_cell_length_b [12.2778]
_cell_length_c [12.6389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6TeCl12]
_chemical_formula_sum '[Na18 Te3 Cl36]'
_cell_volume [1650.0038]
_cell_formula_units_Z [3]
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
[
  Na  Na0  18  0.0063  0.2238  0.6127  1.0
  Te  Te1  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  18  0.0082  0.2323  0.3956  1.0
  Cl  Cl3  18  0.0095  0.8458  0.1128  1.0
]