# generated using pymatgen
data_NbH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02205006
_cell_length_b   3.02205006
_cell_length_c   4.80422915
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.72927853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbH
_chemical_formula_sum   'Nb2 H2'
_cell_volume   42.43414430
_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  0.75000000  0.25000000  0.26883888  1.0
  Nb  Nb1  1  0.25000000  0.75000000  0.73116112  1.0
  H  H2  1  0.25000000  0.25000000  -0.00000000  1.0
  H  H3  1  0.75000000  0.75000000  -0.00000000  1.0