data_[Tb16Ir2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6220]
_cell_length_b [5.1224]
_cell_length_c [6.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8IrAu2]
_chemical_formula_sum '[Tb16 Ir2 Au4]'
_cell_volume [593.6302]
_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  0.0296  0.0000  0.7882  1.0
  Tb  Tb1  4  0.0882  0.5000  0.4357  1.0
  Tb  Tb2  4  0.1601  0.5000  0.9699  1.0
  Tb  Tb3  4  0.2037  0.0000  0.3193  1.0
  Ir  Ir4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1882  0.0000  0.7292  1.0
]