data_[Pm4Ni2H2Ir2]
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
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8815]
_cell_length_b [4.2198]
_cell_length_c [8.0165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm2NiHIr]
_chemical_formula_sum '[Pm4 Ni2 H2 Ir2]'
_cell_volume [185.3684]
_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  0.2181  0.2500  0.4325  1
  Pm  Pm1  2  0.2962  0.7500  0.0681  1
  Ni  Ni2  2  0.1435  0.2500  0.7877  1
  H  H3  2  0.1140  0.2500  0.9796  1
  Ir  Ir4  2  0.3393  0.7500  0.7043  1
]