# generated using pymatgen
data_Nb3InH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45218699
_cell_length_b   5.45218766
_cell_length_c   5.46526176
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.18999539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3InH2
_chemical_formula_sum   'Nb6 In2 H4'
_cell_volume   162.46137220
_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  1  0.74433529  0.98905159  0.75000000  1.0
  Nb  Nb1  1  0.98905159  0.74433529  0.25000000  1.0
  Nb  Nb2  1  0.50935770  0.50935770  0.50000000  1.0
  Nb  Nb3  1  0.25379623  0.99211740  0.75000000  1.0
  Nb  Nb4  1  0.99211740  0.25379623  0.25000000  1.0
  Nb  Nb5  1  0.50935770  0.50935770  0.00000000  1.0
  In  In6  1  0.49729977  0.00300032  0.25000000  1.0
  In  In7  1  0.00300032  0.49729977  0.75000000  1.0
  H  H8  1  0.99970311  0.99970311  0.50000000  1.0
  H  H9  1  0.25167152  0.50060526  0.25000000  1.0
  H  H10  1  0.50060526  0.25167152  0.75000000  1.0
  H  H11  1  0.99970311  0.99970311  0.00000000  1.0