# generated using pymatgen
data_NbHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74508200
_cell_length_b   6.77872734
_cell_length_c   6.78036756
_cell_angle_alpha   110.05932264
_cell_angle_beta   108.24881913
_cell_angle_gamma   109.80689040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHO3
_chemical_formula_sum   'Nb4 H4 O12'
_cell_volume   239.47597590
_cell_formula_units_Z   4
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  0.97886100  0.96783000  0.52019000  1.0
  Nb  Nb1  1  0.97683700  0.46355400  0.04207600  1.0
  Nb  Nb2  1  0.46868400  0.98538900  0.01351900  1.0
  Nb  Nb3  1  0.48953600  0.51549100  0.50610100  1.0
  H  H4  1  0.49236400  0.59330000  0.10707400  1.0
  H  H5  1  0.51255300  0.39813300  0.89392900  1.0
  H  H6  1  0.90181300  0.29817700  0.60192300  1.0
  H  H7  1  0.41393400  0.12081000  0.47985100  1.0
  O  O8  1  0.09444600  0.29598700  0.20219700  1.0
  O  O9  1  0.90485600  0.71458500  0.78979700  1.0
  O  O10  1  0.50622000  0.69422300  0.18208200  1.0
  O  O11  1  0.49809800  0.30930500  0.80649100  1.0
  O  O12  1  0.81529600  0.12252900  0.68855400  1.0
  O  O13  1  0.20909000  0.92197400  0.29013800  1.0
  O  O14  1  0.78745100  0.49937500  0.29153000  1.0
  O  O15  1  0.20886800  0.49939000  0.69650400  1.0
  O  O16  1  0.29906300  0.80372000  0.91180000  1.0
  O  O17  1  0.71169900  0.20325700  0.07777400  1.0
  O  O18  1  0.70624900  0.79636900  0.49017900  1.0
  O  O19  1  0.30904700  0.19069600  0.51097000  1.0