data_[Nd3Sn3H24Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8944]
_cell_length_b [4.8944]
_cell_length_c [18.0101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdSn(H4Ir)2]
_chemical_formula_sum '[Nd3 Sn3 H24 Ir6]'
_cell_volume [373.6285]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Sn  Sn1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0547  0.5274  0.0572  1
  H  H3  6  0.0000  0.0000  0.1796  1
  Ir  Ir4  6  0.0000  0.0000  0.2693  1
]