data_[Nb12In4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5341]
_cell_length_b [5.7368]
_cell_length_c [9.7378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb3InH]
_chemical_formula_sum '[Nb12 In4 H4]'
_cell_volume [321.3014]
_cell_formula_units_Z [4]
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  4  0.0013  0.0096  0.2310  1
  Nb  Nb1  4  0.2701  0.6522  0.6395  1
  Nb  Nb2  4  0.4847  0.2497  0.4946  1
  In  In3  4  0.2141  0.1609  0.6102  1
  H  H4  4  0.1998  0.7313  0.9194  1
]