data_[Tb12Co4Hg2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1407]
_cell_length_b [3.8734]
_cell_length_c [8.8994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Co2HgBr3]
_chemical_formula_sum '[Tb12 Co4 Hg2 Br6]'
_cell_volume [659.3179]
_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
[
  Tb  Tb0  4  0.0433  0.0000  0.2761  1.0
  Tb  Tb1  4  0.1639  0.5000  0.1439  1.0
  Tb  Tb2  4  0.1859  0.5000  0.5747  1.0
  Co  Co3  4  0.1759  0.0000  0.3578  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1737  0.0000  0.8476  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]