data_[Rb3Tb3Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4169]
_cell_length_b [8.4169]
_cell_length_c [3.8947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Rb3Tb3Ir2]
_chemical_formula_sum '[Rb3 Tb3 Ir2]'
_cell_volume [238.9502]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  3  0.0000  0.2194  0.0000  1
  Tb  Tb1  3  0.0000  0.5437  0.5000  1
  Ir  Ir2  2  0.3333  0.6667  0.0000  1
]