# generated using pymatgen
data_Nb3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32804182
_cell_length_b   5.32806121
_cell_length_c   5.32805466
_cell_angle_alpha   89.99999656
_cell_angle_beta   89.99999935
_cell_angle_gamma   90.00001183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3In
_chemical_formula_sum   'Nb6 In2'
_cell_volume   151.25352403
_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  0.49999972  0.24999869  0.00000015  1.0
  Nb  Nb1  1  0.49999983  0.75000135  0.00000012  1.0
  Nb  Nb2  1  0.24999756  -0.00000651  0.49999985  1.0
  Nb  Nb3  1  0.75000246  -0.00000661  0.49999988  1.0
  Nb  Nb4  1  0.00000026  0.50000743  0.25000455  1.0
  Nb  Nb5  1  0.00000021  0.50000752  0.74999545  1.0
  In  In6  1  0.49999979  0.50000581  0.49999987  1.0
  In  In7  1  0.00000016  -0.00000567  0.00000013  1.0