data_[Pm12Zn12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6672]
_cell_length_b [16.0429]
_cell_length_c [5.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pm3Zn3Ir2]
_chemical_formula_sum '[Pm12 Zn12 Ir8]'
_cell_volume [696.2428]
_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
[
  Pm  Pm0  8  0.0369  0.6058  0.6128  1
  Pm  Pm1  4  0.1669  0.7500  0.1397  1
  Zn  Zn2  8  0.1706  0.5330  0.0986  1
  Zn  Zn3  4  0.1753  0.2500  0.1305  1
  Ir  Ir4  8  0.1234  0.1129  0.8774  1
]