data_[Tb12Co2Au6]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9562]
_cell_length_b [7.6533]
_cell_length_c [11.8633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6CoAu3]
_chemical_formula_sum '[Tb12 Co2 Au6]'
_cell_volume [539.7635]
_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  0.0803  0.5487  0.7409  1.0
  Tb  Tb1  4  0.2188  0.1948  0.5727  1.0
  Tb  Tb2  4  0.3757  0.6653  0.5611  1.0
  Co  Co3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.3134  0.6118  0.2580  1.0
  Au  Au5  2  0.5000  0.0000  0.5000  1.0
]