# generated using pymatgen
data_TiNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80302045
_cell_length_b   4.80302045
_cell_length_c   2.98936900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.27381937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbO4
_chemical_formula_sum   'Ti1 Nb1 O4'
_cell_volume   68.94472746
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.50000000  0.50000000  0.50000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.00000000  1.0
  O  O2  1  0.20878300  0.79121700  0.50000000  1.0
  O  O3  1  0.79121700  0.20878300  0.50000000  1.0
  O  O4  1  0.30425700  0.30425700  0.00000000  1.0
  O  O5  1  0.69574300  0.69574300  0.00000000  1.0