data_[Pm22Hg18Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.7160]
_cell_length_b [22.0615]
_cell_length_c [3.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pm11Hg9Ir4]
_chemical_formula_sum '[Pm22 Hg18 Ir8]'
_cell_volume [1232.4265]
_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
[
  Pm  Pm0  8  0.2489  0.1670  0.0000  1
  Pm  Pm1  4  0.0000  0.1661  0.0000  1
  Pm  Pm2  4  0.0000  0.3722  0.0000  1
  Pm  Pm3  4  0.1955  0.5000  0.0000  1
  Pm  Pm4  2  0.0000  0.0000  0.0000  1
  Hg  Hg5  8  0.1072  0.2603  0.5000  1
  Hg  Hg6  8  0.1379  0.0736  0.5000  1
  Hg  Hg7  2  0.0000  0.5000  0.5000  1
  Ir  Ir8  8  0.1489  0.4003  0.5000  1
]