data_[Tb12Te4Au4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9407]
_cell_length_b [3.9695]
_cell_length_c [12.0257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb3TeAu]
_chemical_formula_sum '[Tb12 Te4 Au4]'
_cell_volume [569.9962]
_cell_formula_units_Z [4]
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  0.0468  0.2500  0.1260  1
  Tb  Tb1  4  0.1522  0.7500  0.5556  1
  Tb  Tb2  4  0.2246  0.2500  0.7929  1
  Te  Te3  4  0.0152  0.7500  0.3295  1
  Au  Au4  4  0.1777  0.7500  0.9881  1
]