data_[Pm12Ir6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9331]
_cell_length_b [4.1600]
_cell_length_c [11.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm6Ir3Se]
_chemical_formula_sum '[Pm12 Ir6 Se2]'
_cell_volume [564.7648]
_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  2  0.0668  0.7500  0.8971  1
  Pm  Pm1  2  0.1311  0.2500  0.4426  1
  Pm  Pm2  2  0.2515  0.7500  0.2189  1
  Pm  Pm3  2  0.2954  0.7500  0.7284  1
  Pm  Pm4  2  0.3872  0.2500  0.0326  1
  Pm  Pm5  2  0.4584  0.2500  0.5922  1
  Ir  Ir6  2  0.1559  0.2500  0.0637  1
  Ir  Ir7  2  0.3049  0.7500  0.4835  1
  Ir  Ir8  2  0.4708  0.2500  0.8272  1
  Se  Se9  2  0.0729  0.2500  0.6732  1
]