data_[Tm1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8927]
_cell_length_b [7.2568]
_cell_length_c [8.0072]
_cell_angle_alpha [67.6067]
_cell_angle_beta [71.5499]
_cell_angle_gamma [86.0992]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmAuBr6]
_chemical_formula_sum '[Tm1 Au1 Br6]'
_cell_volume [299.7757]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  2  0.0930  0.6602  0.1931  1.0
  Br  Br3  2  0.2185  0.1326  0.1613  1.0
  Br  Br4  2  0.4751  0.6874  0.6507  1.0
]