data_[Pr12Zn4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3277]
_cell_length_b [9.5284]
_cell_length_c [10.1295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Zn2Ir]
_chemical_formula_sum '[Pr12 Zn4 Ir2]'
_cell_volume [531.6927]
_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  0.1019  0.5273  0.7112  1
  Pr  Pr1  4  0.1360  0.1703  0.5471  1
  Pr  Pr2  4  0.4375  0.6879  0.5193  1
  Zn  Zn3  4  0.3905  0.5935  0.2262  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]