data_[Tm3In6Ga3Br18]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0009]
_cell_length_b [8.0009]
_cell_length_c [20.2647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TmIn2GaBr6]
_chemical_formula_sum '[Tm3 In6 Ga3 Br18]'
_cell_volume [1123.4230]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3226  1.0
  In  In1  3  0.0000  0.0000  0.0229  1.0
  In  In2  3  0.0000  0.0000  0.5308  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8143  1.0
  Br  Br4  9  0.0362  0.6196  0.0748  1.0
  Br  Br5  9  0.0824  0.3481  0.9155  1.0
]