data_[Na6Te2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4673]
_cell_length_b [7.6753]
_cell_length_c [13.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3TeBr6]
_chemical_formula_sum '[Na6 Te2 Br12]'
_cell_volume [656.2208]
_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
[
  Na  Na0  4  0.2282  0.5764  0.2228  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Te  Te2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.1042  0.6880  0.9441  1.0
  Br  Br4  4  0.1991  0.1737  0.9008  1.0
  Br  Br5  4  0.4079  0.5780  0.7649  1.0
]