data_[Tm2Ga4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3380]
_cell_length_b [9.6458]
_cell_length_c [6.7738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(GaBr4)2]
_chemical_formula_sum '[Tm2 Ga4 Br16]'
_cell_volume [861.4251]
_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
  Ga  Ga1  4  0.1919  0.0000  0.6505  1
  Br  Br2  8  0.0910  0.1921  0.7779  1
  Br  Br3  4  0.1358  0.5000  0.2128  1
  Br  Br4  4  0.1802  0.0000  0.2739  1
]