data_[Tb3Pr6Ir27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3639]
_cell_length_b [5.3639]
_cell_length_c [26.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TbPr2Ir9]
_chemical_formula_sum '[Tb3 Pr6 Ir27]'
_cell_volume [664.8198]
_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  3  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  6  0.0000  0.0000  0.1393  1.0
  Ir  Ir2  18  0.0038  0.5019  0.0802  1.0
  Ir  Ir3  6  0.0000  0.0000  0.3320  1.0
  Ir  Ir4  3  -0.0000  -0.0000  0.5000  1.0
]