data_[Tm2Tl6Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [7.7714]
_cell_length_b [8.5892]
_cell_length_c [13.3809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm(TlBr2)3]
_chemical_formula_sum '[Tm2 Tl6 Br12]'
_cell_volume [755.1820]
_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
[
  Tm  Tm0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2975  0.5782  0.2676  1.0
  Tl  Tl2  2  0.5000  0.0000  0.5000  1.0
  Br  Br3  4  0.0966  0.5607  0.7287  1.0
  Br  Br4  4  0.2356  0.2294  0.5776  1.0
  Br  Br5  4  0.3404  0.6672  0.5443  1.0
]