data_[Tb16Ga4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6212]
_cell_length_b [5.0011]
_cell_length_c [6.6768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Ga2Au]
_chemical_formula_sum '[Tb16 Ga4 Au2]'
_cell_volume [608.4579]
_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  0.0249  0.0000  0.7707  1
  Tb  Tb1  4  0.0923  0.5000  0.4633  1
  Tb  Tb2  4  0.1579  0.5000  0.9783  1
  Tb  Tb3  4  0.2083  0.0000  0.3190  1
  Ga  Ga4  4  0.1883  0.0000  0.7569  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]