data_[Nb24Sn3H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4466]
_cell_length_b [8.4466]
_cell_length_c [8.9302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nb8SnH6]
_chemical_formula_sum '[Nb24 Sn3 H18]'
_cell_volume [551.7707]
_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
[
  Nb  Nb0  18  0.0043  0.6775  0.7776  1
  Nb  Nb1  6  0.0000  0.0000  0.3294  1
  Sn  Sn2  3  0.0000  0.0000  0.0000  1
  H  H3  18  0.0742  0.2412  0.3995  1
]