# generated using pymatgen
data_NaTi3Nb(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50283062
_cell_length_b   6.50283062
_cell_length_c   6.50283033
_cell_angle_alpha   109.52905824
_cell_angle_beta   109.52905824
_cell_angle_gamma   109.52905076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi3Nb(CuO4)3
_chemical_formula_sum   'Na1 Ti3 Nb1 Cu3 O12'
_cell_volume   211.22823430
_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
  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti2  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu7  1  0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.30638800  0.82021100  0.12697800  1.0
  O  O9  1  0.69361200  0.17978900  0.87302200  1.0
  O  O10  1  0.30505900  0.17573900  0.48495500  1.0
  O  O11  1  0.69494100  0.82426100  0.51504500  1.0
  O  O12  1  0.82021100  0.12697800  0.30638800  1.0
  O  O13  1  0.17978900  0.87302200  0.69361200  1.0
  O  O14  1  0.17573900  0.48495500  0.30505900  1.0
  O  O15  1  0.82426100  0.51504500  0.69494100  1.0
  O  O16  1  0.12697800  0.30638800  0.82021100  1.0
  O  O17  1  0.87302200  0.69361200  0.17978900  1.0
  O  O18  1  0.48495500  0.30505900  0.17573900  1.0
  O  O19  1  0.51504500  0.69494100  0.82426100  1.0