# generated using pymatgen
data_MgTi2Nb2(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55374666
_cell_length_b   6.55385295
_cell_length_c   6.55902290
_cell_angle_alpha   109.53735359
_cell_angle_beta   109.51893705
_cell_angle_gamma   109.32536775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Nb2(CuO4)3
_chemical_formula_sum   'Mg1 Ti2 Nb2 Cu3 O12'
_cell_volume   216.95698864
_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
  Nb  Nb3  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  0.82074000  0.29612100  0.11682500  1.0
  O  O9  1  0.47521200  0.17573900  0.29592100  1.0
  O  O10  1  0.87978800  0.17923400  0.70405800  1.0
  O  O11  1  0.29570200  0.47506500  0.17568700  1.0
  O  O12  1  0.70060300  0.87996300  0.17566900  1.0
  O  O13  1  0.82509000  0.70061500  0.52569900  1.0
  O  O14  1  0.17491000  0.29938500  0.47430100  1.0
  O  O15  1  0.29939700  0.12003700  0.82433000  1.0
  O  O16  1  0.70429800  0.52493500  0.82431300  1.0
  O  O17  1  0.12021200  0.82076600  0.29594200  1.0
  O  O18  1  0.52478800  0.82426100  0.70407900  1.0
  O  O19  1  0.17926000  0.70387900  0.88317500  1.0