data_[Tb16Ir2Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2469]
_cell_length_b [12.6459]
_cell_length_c [6.0991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tb8IrRh2]
_chemical_formula_sum '[Tb16 Ir2 Rh4]'
_cell_volume [596.8878]
_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  0.0002  0.2087  0.9869  1
  Tb  Tb1  4  0.2150  0.1300  0.5810  1
  Tb  Tb2  4  0.2934  0.3706  0.3781  1
  Tb  Tb3  2  0.1464  0.5000  0.8065  1
  Tb  Tb4  2  0.3570  0.0000  0.1675  1
  Ir  Ir5  2  0.0007  0.0000  0.1614  1
  Rh  Rh6  4  0.0063  0.3113  0.4860  1
]