data_[Tb2Ag6Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3415]
_cell_length_b [7.2259]
_cell_length_c [13.2547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb(AgBr2)3]
_chemical_formula_sum '[Tb2 Ag6 Br12]'
_cell_volume [596.0089]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.2831  0.0197  0.7587  1.0
  Ag  Ag2  2  0.5000  0.0000  0.5000  1.0
  Br  Br3  4  0.0696  0.1723  0.4124  1.0
  Br  Br4  4  0.2795  0.6731  0.4417  1.0
  Br  Br5  4  0.3477  0.1093  0.2326  1.0
]