data_[Sm10Pa2Ir8]
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/m]
_cell_length_a [17.7762]
_cell_length_b [4.1128]
_cell_length_c [7.9251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm5PaIr4]
_chemical_formula_sum '[Sm10 Pa2 Ir8]'
_cell_volume [555.5833]
_cell_formula_units_Z [2]
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  4  0.1629  0.0000  0.3416  1
  Sm  Sm1  4  0.1684  0.0000  0.8596  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.0010  0.0000  0.7575  1
  Ir  Ir5  4  0.1654  0.5000  0.1064  1
]