data_[Pm1Si4Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.0526]
_cell_length_b [7.0526]
_cell_length_c [3.8605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Pm(Si2Ir3)2]
_chemical_formula_sum '[Pm1 Si4 Ir6]'
_cell_volume [166.2939]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Si  Si1  3  0.1978  0.3955  0.5000  1
  Si  Si2  1  0.6667  0.3333  0.0000  1
  Ir  Ir3  3  0.0661  0.5331  0.0000  1
  Ir  Ir4  3  0.3979  0.1989  0.5000  1
]