data_[Tb12Te4Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  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 [7.3132]
_cell_length_b [12.6918]
_cell_length_c [7.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Te2AuSe3]
_chemical_formula_sum '[Tb12 Te4 Au2 Se6]'
_cell_volume [635.5590]
_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  0.2437  0.1589  0.2587  1.0
  Tb  Tb1  4  0.2273  0.0000  0.7333  1.0
  Te  Te2  4  0.0000  0.3362  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0000  0.1754  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]