data_[Na4Tb2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5968]
_cell_length_b [4.3128]
_cell_length_c [13.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2TbBr6]
_chemical_formula_sum '[Na4 Tb2 Br12]'
_cell_volume [635.9602]
_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  0.1315  0.0000  0.8336  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  4  0.0977  0.0000  0.4241  1.0
  Br  Br3  4  0.1031  0.5000  0.9768  1.0
  Br  Br4  4  0.1916  0.5000  0.7160  1.0
]