data_[Nb6In2H2]
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 [Cm]
_cell_length_a [10.5100]
_cell_length_b [3.5545]
_cell_length_c [4.7655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Nb3InH]
_chemical_formula_sum '[Nb6 In2 H2]'
_cell_volume [158.7065]
_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
[
  Nb  Nb0  2  0.0321  0.0000  0.0866  1
  Nb  Nb1  2  0.0589  0.5000  0.5974  1
  Nb  Nb2  2  0.3054  0.0000  0.8473  1
  In  In3  2  0.2973  0.5000  0.3429  1
  H  H4  2  0.1101  0.0000  0.7854  1
]