data_[Pm64Tl16Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [14.0522]
_cell_length_b [14.0522]
_cell_length_c [14.0522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Pm4TlIr]
_chemical_formula_sum '[Pm64 Tl16 Ir16]'
_cell_volume [2774.8272]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.1918  1
  Pm  Pm1  24  0.0592  0.2500  0.7500  1
  Pm  Pm2  16  0.0987  0.4013  0.0987  1
  Tl  Tl3  16  0.1651  0.1651  0.1651  1
  Ir  Ir4  16  0.1084  0.1084  0.6084  1
]