data_[Tb6Er6Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8131]
_cell_length_b [4.8131]
_cell_length_c [23.5380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Er2Ir3]
_chemical_formula_sum '[Tb6 Er6 Ir9]'
_cell_volume [472.2231]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1228  1.0
  Er  Er1  6  0.0000  0.0000  0.3737  1.0
  Ir  Ir2  6  0.0000  0.0000  0.2508  1.0
  Ir  Ir3  3  -0.0000  -0.0000  0.5000  1.0
]