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 [P2_1/m]
_cell_length_a [4.8762]
_cell_length_b [5.8779]
_cell_length_c [5.5157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb3InH]
_chemical_formula_sum '[Nb6 In2 H2]'
_cell_volume [158.0517]
_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  4  0.2526  0.5157  0.1522  1.0
  Nb  Nb1  2  0.2779  0.2500  0.6410  1.0
  In  In2  2  0.2386  0.7500  0.6559  1.0
  H  H3  2  0.0506  0.2500  0.9314  1.0
]