data_[Pm2Ni8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.1780]
_cell_length_b [3.8247]
_cell_length_c [6.8944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PmNi4Ir]
_chemical_formula_sum '[Pm2 Ni8 Ir2]'
_cell_volume [189.2766]
_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  0.2500  0.0000  0.3669  1
  Ni  Ni1  4  0.0356  0.5000  0.7574  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.2500  0.5000  0.0373  1
  Ir  Ir4  2  0.2500  0.0000  0.7680  1
]