# generated using pymatgen
data_ZrNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36032836
_cell_length_b   6.36032836
_cell_length_c   5.14539008
_cell_angle_alpha   68.33015732
_cell_angle_beta   68.33015732
_cell_angle_gamma   113.67927965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbO4
_chemical_formula_sum   'Zr2 Nb2 O8'
_cell_volume   140.63330192
_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
  Zr  Zr0  1  0.63156100  0.36843900  0.75000000  1.0
  Zr  Zr1  1  0.36843900  0.63156100  0.25000000  1.0
  Nb  Nb2  1  0.10300200  0.89699800  0.75000000  1.0
  Nb  Nb3  1  0.89699800  0.10300200  0.25000000  1.0
  O  O4  1  0.29079800  0.22982300  0.25858900  1.0
  O  O5  1  0.22982300  0.29079800  0.75858900  1.0
  O  O6  1  0.95593600  0.38327300  0.35467600  1.0
  O  O7  1  0.38327300  0.95593600  0.85467600  1.0
  O  O8  1  0.61672700  0.04406400  0.14532400  1.0
  O  O9  1  0.04406400  0.61672700  0.64532400  1.0
  O  O10  1  0.77017700  0.70920200  0.24141100  1.0
  O  O11  1  0.70920200  0.77017700  0.74141100  1.0