data_[Ce12Pr4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6437]
_cell_length_b [4.6047]
_cell_length_c [8.5770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3PrIr2]
_chemical_formula_sum '[Ce12 Pr4 Ir8]'
_cell_volume [578.1947]
_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
[
  Ce  Ce0  4  0.0689  0.0000  0.4263  1.0
  Ce  Ce1  4  0.1242  0.5000  0.6996  1.0
  Ce  Ce2  4  0.2088  0.5000  0.3648  1.0
  Pr  Pr3  4  0.1100  0.0000  0.0282  1.0
  Ir  Ir4  4  0.0235  0.5000  0.1973  1.0
  Ir  Ir5  4  0.2361  0.0000  0.8811  1.0
]