data_[La8Pm8Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.9067]
_cell_length_b [8.9067]
_cell_length_c [8.9067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [La2Pm2Ir3]
_chemical_formula_sum '[La8 Pm8 Ir12]'
_cell_volume [706.5507]
_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
[
  La  La0  8  0.1892  0.1892  0.1892  1
  Pm  Pm1  8  0.0608  0.5608  0.9392  1
  Ir  Ir2  12  0.0000  0.2500  0.8607  1
]