data_[Tb4Ho2Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8576]
_cell_length_b [4.8576]
_cell_length_c [11.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb2HoIr3]
_chemical_formula_sum '[Tb4 Ho2 Ir6]'
_cell_volume [242.9077]
_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  2  0.3333  0.6667  0.1675  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Tb  Tb2  1  0.0000  0.0000  0.5000  1
  Ho  Ho3  2  0.3333  0.6667  0.6662  1
  Ir  Ir4  2  0.0000  0.0000  0.2511  1
  Ir  Ir5  2  0.3333  0.6667  0.4168  1
  Ir  Ir6  2  0.3333  0.6667  0.9156  1
]