# generated using pymatgen
data_MgTi4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42328018
_cell_length_b   6.48315926
_cell_length_c   6.42328171
_cell_angle_alpha   109.20571077
_cell_angle_beta   109.44609832
_cell_angle_gamma   109.38766706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi4(CuO4)3
_chemical_formula_sum   'Mg1 Ti4 Cu3 O12'
_cell_volume   206.85524510
_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  0.94544000  0.87380200  0.92836000  1.0
  Ti  Ti1  1  0.99978700  0.97614400  0.48375800  1.0
  Ti  Ti2  1  0.98780300  0.45557600  0.98425900  1.0
  Ti  Ti3  1  0.47131700  0.45557600  0.46777300  1.0
  Ti  Ti4  1  0.49238700  0.97614400  0.97635700  1.0
  Cu  Cu5  1  0.50001800  0.48724800  0.98723000  1.0
  Cu  Cu6  1  0.99405900  0.49032800  0.49626900  1.0
  Cu  Cu7  1  0.49435600  0.97952100  0.48516500  1.0
  O  O8  1  0.81787900  0.29695300  0.12316700  1.0
  O  O9  1  0.17075500  0.69258300  0.86994600  1.0
  O  O10  1  0.82263700  0.69258300  0.52182900  1.0
  O  O11  1  0.30643500  0.47289700  0.16646300  1.0
  O  O12  1  0.47778200  0.16296500  0.29451700  1.0
  O  O13  1  0.11921000  0.80947800  0.28734400  1.0
  O  O14  1  0.69937000  0.86144300  0.16207200  1.0
  O  O15  1  0.52213600  0.80947800  0.69026800  1.0
  O  O16  1  0.17378600  0.29695300  0.47907100  1.0
  O  O17  1  0.69625200  0.50656300  0.81031000  1.0
  O  O18  1  0.86844800  0.16296500  0.68518200  1.0
  O  O19  1  0.30472600  0.11371600  0.80898900  1.0