data_[Pr9Tm3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4308]
_cell_length_b [5.4308]
_cell_length_c [26.5846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3TmIr8]
_chemical_formula_sum '[Pr9 Tm3 Ir24]'
_cell_volume [679.0203]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.0007  1
  Pr  Pr1  3  0.0000  0.0000  0.4996  1
  Pr  Pr2  3  0.0000  0.0000  0.6248  1
  Tm  Tm3  3  0.0000  0.0000  0.1254  1
  Ir  Ir4  9  0.0009  0.5004  0.0637  1
  Ir  Ir5  9  0.1674  0.3348  0.8946  1
  Ir  Ir6  3  0.0000  0.0000  0.3125  1
  Ir  Ir7  3  0.0000  0.0000  0.8123  1
]