data_[Pm36Ge18Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1821]
_cell_length_b [13.1821]
_cell_length_c [12.1428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm6Ge3Ir]
_chemical_formula_sum '[Pm36 Ge18 Ir6]'
_cell_volume [1827.3263]
_cell_formula_units_Z [6]
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  18  0.0336  0.2056  0.3925  1
  Pm  Pm1  18  0.0467  0.2059  0.8874  1
  Ge  Ge2  18  0.0499  0.2753  0.6528  1
  Ir  Ir3  3  0.0000  0.0000  0.0000  1
  Ir  Ir4  3  0.0000  0.0000  0.5000  1
]