data_[Tb1Sn1Hg1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.2716]
_cell_length_b [7.2716]
_cell_length_c [8.6528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [TbSnHgBr6]
_chemical_formula_sum '[Tb1 Sn1 Hg1 Br6]'
_cell_volume [396.2321]
_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
[
  Tb  Tb0  1  0.6667  0.3333  0.5000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  1  0.3333  0.6667  0.0000  1.0
  Br  Br3  6  0.3336  0.0303  0.3117  1.0
]