data_[Pm8Er4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.8259]
_cell_length_b [10.7138]
_cell_length_c [6.2258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pm2ErIr2]
_chemical_formula_sum '[Pm8 Er4 Ir8]'
_cell_volume [522.0009]
_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  0.1346  0.1600  0.0000  1
  Er  Er1  4  0.0000  0.5000  0.2500  1
  Ir  Ir2  8  0.2353  0.0954  0.5000  1
]