data_[Na4Tl4Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9186]
_cell_length_b [13.0890]
_cell_length_c [7.1326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl2Br7]
_chemical_formula_sum '[Na4 Tl4 Br14]'
_cell_volume [906.1728]
_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  0.0000  0.3096  0.5000  1.0
  Tl  Tl1  4  0.2464  0.5000  0.1100  1.0
  Br  Br2  8  0.2461  0.1773  0.6858  1.0
  Br  Br3  4  0.0728  0.5000  0.7512  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]