data_[Tm2In2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6909]
_cell_length_b [10.6125]
_cell_length_c [8.8686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmInBr3]
_chemical_formula_sum '[Tm2 In2 Br6]'
_cell_volume [347.3606]
_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  0.5000  0.0000  0.0000  1
  In  In1  2  0.0199  0.2500  0.5225  1
  Br  Br2  4  0.0051  0.0524  0.2293  1
  Br  Br3  2  0.4985  0.2500  0.9012  1
]