data_[Pm16Mg4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.7893]
_cell_length_b [11.0099]
_cell_length_c [7.8555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Pm4MgIr2]
_chemical_formula_sum '[Pm16 Mg4 Ir8]'
_cell_volume [798.8392]
_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  0.0018  0.3872  0.7553  1
  Pm  Pm1  4  0.0828  0.8821  0.2230  1
  Pm  Pm2  4  0.1935  0.6667  0.6000  1
  Pm  Pm3  4  0.2377  0.5844  0.1069  1
  Mg  Mg4  2  0.0000  0.1102  0.5000  1
  Mg  Mg5  2  0.0000  0.1646  0.0000  1
  Ir  Ir6  4  0.0024  0.6426  0.2196  1
  Ir  Ir7  4  0.2450  0.3210  0.0654  1
]