data_[Pm4Sm4Pa8Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [7.6572]
_cell_length_b [11.1807]
_cell_length_c [8.5137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [PmSm(PaIr2)2]
_chemical_formula_sum '[Pm4 Sm4 Pa8 Ir16]'
_cell_volume [728.8808]
_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  4  0.0000  0.0000  0.4989  1
  Sm  Sm1  4  0.0000  0.0000  0.0850  1
  Pa  Pa2  8  0.2500  0.2500  0.3298  1
  Ir  Ir3  8  0.0000  0.2428  0.5832  1
  Ir  Ir4  8  0.1935  0.0000  0.7965  1
]