data_[Tb3In3Ga6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [7.8380]
_cell_length_b [7.8380]
_cell_length_c [21.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbIn(GaBr3)2]
_chemical_formula_sum '[Tb3 In3 Ga6 Br18]'
_cell_volume [1118.8327]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.3246  1.0
  In  In1  3  0.0000  0.0000  0.8147  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0086  1.0
  Ga  Ga3  3  0.0000  0.0000  0.5165  1.0
  Br  Br4  9  0.0411  0.3503  0.9211  1.0
  Br  Br5  9  0.0582  0.6809  0.0781  1.0
]