data_[Pr6Ho8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9769]
_cell_length_b [8.6525]
_cell_length_c [15.9752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(HoIr)4]
_chemical_formula_sum '[Pr6 Ho8 Ir8]'
_cell_volume [549.7106]
_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
[
  Pr  Pr0  4  0.0000  0.0000  0.1019  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  8  0.0000  0.1914  0.6688  1.0
  Ir  Ir3  4  0.0000  0.2837  0.5000  1.0
  Ir  Ir4  4  0.0000  0.5000  0.2405  1.0
]