data_[Pr24H4Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2195]
_cell_length_b [14.2218]
_cell_length_c [6.9383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6HIr3]
_chemical_formula_sum '[Pr24 H4 Ir12]'
_cell_volume [1107.0795]
_cell_formula_units_Z [4]
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  8  0.1631  0.2739  0.7024  1.0
  Pr  Pr1  8  0.1672  0.4733  0.1889  1.0
  Pr  Pr2  4  0.0000  0.0436  0.6592  1.0
  Pr  Pr3  4  0.0000  0.2235  0.1747  1.0
  Ir  Ir4  8  0.1689  0.1083  0.9669  1.0
  H  H5  4  0.0000  0.2024  0.5269  1.0
  Ir  Ir6  4  0.0000  0.3930  0.9084  1.0
]