data_[Tb12Ir4Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0228]
_cell_length_b [12.1050]
_cell_length_c [7.4727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Ir2AuSe3]
_chemical_formula_sum '[Tb12 Ir4 Au2 Se6]'
_cell_volume [603.5494]
_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  8  0.2446  0.3222  0.7681  1.0
  Tb  Tb1  4  0.2207  0.5000  0.2289  1.0
  Ir  Ir2  4  0.0000  0.3324  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0000  0.1614  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]