# generated using pymatgen
data_MgTi3Nb(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48945487
_cell_length_b   6.48945487
_cell_length_c   6.48945487
_cell_angle_alpha   109.45325009
_cell_angle_beta   109.45325009
_cell_angle_gamma   109.45325009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi3Nb(CuO4)3
_chemical_formula_sum   'Mg1 Ti3 Nb1 Cu3 O12'
_cell_volume   210.51903838
_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
  Mg  Mg0  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  0.82317300  0.29837300  0.12188200  1.0
  O  O9  1  0.47498000  0.17266900  0.29788200  1.0
  O  O10  1  0.87811800  0.17682700  0.70162700  1.0
  O  O11  1  0.70162700  0.87811800  0.17682700  1.0
  O  O12  1  0.29788200  0.47498000  0.17266900  1.0
  O  O13  1  0.82733100  0.70211800  0.52502000  1.0
  O  O14  1  0.17266900  0.29788200  0.47498000  1.0
  O  O15  1  0.29837300  0.12188200  0.82317300  1.0
  O  O16  1  0.70211800  0.52502000  0.82733100  1.0
  O  O17  1  0.12188200  0.82317300  0.29837300  1.0
  O  O18  1  0.52502000  0.82733100  0.70211800  1.0
  O  O19  1  0.17682700  0.70162700  0.87811800  1.0