data_[Na2Tb2Tl4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7009]
_cell_length_b [8.1696]
_cell_length_c [13.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTb(TlBr3)2]
_chemical_formula_sum '[Na2 Tb2 Tl4 Br12]'
_cell_volume [699.3909]
_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  2  0.5000  0.0000  0.0000  1.0
  Tb  Tb1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2820  0.0790  0.2546  1.0
  Br  Br3  4  0.1365  0.0270  0.7437  1.0
  Br  Br4  4  0.2372  0.7090  0.5537  1.0
  Br  Br5  4  0.3484  0.1883  0.5492  1.0
]