data_[Nd4Ni2H2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [5.9292]
_cell_length_b [4.2521]
_cell_length_c [8.0574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2NiHIr]
_chemical_formula_sum '[Nd4 Ni2 H2 Ir2]'
_cell_volume [189.2377]
_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
[
  Nd  Nd0  2  0.2178  0.7500  0.4323  1.0
  Nd  Nd1  2  0.2959  0.2500  0.0668  1.0
  Ni  Ni2  2  0.1448  0.7500  0.7868  1.0
  H  H3  2  0.1151  0.7500  0.9787  1.0
  Ir  Ir4  2  0.3371  0.2500  0.7042  1.0
]