data_[Pm4In36Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [12.3582]
_cell_length_b [12.3582]
_cell_length_c [7.2829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [PmIn9Ir2]
_chemical_formula_sum '[Pm4 In36 Ir8]'
_cell_volume [1112.2701]
_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  0.5000  1
  In  In1  32  0.1196  0.1831  0.7952  1
  In  In2  4  0.0000  0.0000  0.0000  1
  Ir  Ir3  8  0.0000  0.2500  0.1250  1
]