data_[Tb12Pb2Au4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pb  2.3300  1.8000  1.1225
  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 [18.7610]
_cell_length_b [4.0800]
_cell_length_c [8.6629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6PbAu2Se3]
_chemical_formula_sum '[Tb12 Pb2 Au4 Se6]'
_cell_volume [631.0162]
_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  0.0010  0.0000  0.2665  1.0
  Tb  Tb1  4  0.1658  0.5000  0.5852  1.0
  Tb  Tb2  4  0.1731  0.5000  0.0899  1.0
  Pb  Pb3  2  0.0000  0.5000  0.0000  1.0
  Au  Au4  4  0.1702  0.0000  0.3394  1.0
  Se  Se5  4  0.1633  0.0000  0.8354  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]