data_[Sm8Pa4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [11.2038]
_cell_length_b [6.2013]
_cell_length_c [7.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2PaIr2]
_chemical_formula_sum '[Sm8 Pa4 Ir8]'
_cell_volume [500.0193]
_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
[
  Sm  Sm0  8  0.1505  0.3829  0.6462  1
  Pa  Pa1  4  0.0000  0.0886  0.2500  1
  Ir  Ir2  8  0.1456  0.1482  0.0111  1
]