# generated using pymatgen
data_MgTi3Nb(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81734827
_cell_length_b   6.51473559
_cell_length_c   6.61033925
_cell_angle_alpha   105.97130684
_cell_angle_beta   112.05470473
_cell_angle_gamma   109.63982134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi3Nb(CuO4)3
_chemical_formula_sum   'Mg1 Ti3 Nb1 Cu3 O12'
_cell_volume   227.57697902
_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  0.70198989  0.56559645  0.12761710  1.0
  Ti  Ti1  1  0.54784750  0.00043635  0.99495879  1.0
  Ti  Ti2  1  0.04157372  0.55689059  0.03237748  1.0
  Ti  Ti3  1  0.00140229  0.00701459  0.53692057  1.0
  Nb  Nb4  1  0.50157374  0.47071771  0.49796198  1.0
  Cu  Cu5  1  0.28424955  0.42116185  0.87701474  1.0
  Cu  Cu6  1  0.51797740  0.00385399  0.51497024  1.0
  Cu  Cu7  1  0.01796960  0.50659850  0.50666785  1.0
  O  O8  1  0.82245071  0.32452492  0.13643758  1.0
  O  O9  1  0.49981281  0.18536601  0.32394550  1.0
  O  O10  1  0.89071569  0.17570145  0.69443451  1.0
  O  O11  1  0.72326630  0.89810661  0.20102930  1.0
  O  O12  1  0.32373920  0.51006739  0.20958654  1.0
  O  O13  1  0.82170742  0.67991627  0.49215768  1.0
  O  O14  1  0.20609929  0.32494209  0.51582168  1.0
  O  O15  1  0.31945941  0.12621670  0.81879164  1.0
  O  O16  1  0.73466770  0.52581783  0.82926856  1.0
  O  O17  1  0.12205119  0.80856540  0.30480492  1.0
  O  O18  1  0.53310055  0.83031277  0.71209178  1.0
  O  O19  1  0.21126304  0.69277552  0.88147455  1.0