data_[Pm6Sm4Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7892]
_cell_length_b [5.7954]
_cell_length_c [13.9904]
_cell_angle_alpha [89.9500]
_cell_angle_beta [89.5198]
_cell_angle_gamma [72.8021]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pm3Sm2Ir3]
_chemical_formula_sum '[Pm6 Sm4 Ir6]'
_cell_volume [448.3846]
_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  1  0.1325  0.9720  0.1175  1
  Pm  Pm1  1  0.4412  0.3527  0.2501  1
  Pm  Pm2  1  0.5617  0.6458  0.7500  1
  Pm  Pm3  1  0.7326  0.5916  0.4279  1
  Pm  Pm4  1  0.8650  0.0263  0.8835  1
  Pm  Pm5  1  0.8671  0.0260  0.6156  1
  Sm  Sm6  1  0.1465  0.9709  0.3856  1
  Sm  Sm7  1  0.2773  0.4040  0.9304  1
  Sm  Sm8  1  0.2824  0.4041  0.5696  1
  Sm  Sm9  1  0.7208  0.5939  0.0682  1
  Ir  Ir10  1  0.3766  0.8698  0.9320  1
  Ir  Ir11  1  0.3834  0.8688  0.5683  1
  Ir  Ir12  1  0.4750  0.1773  0.7499  1
  Ir  Ir13  1  0.5280  0.8213  0.2487  1
  Ir  Ir14  1  0.6203  0.1289  0.0679  1
  Ir  Ir15  1  0.6297  0.1266  0.4306  1
]