# generated using pymatgen
data_MgTi3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00269026
_cell_length_b   7.58148261
_cell_length_c   3.12116523
_cell_angle_alpha   78.08738809
_cell_angle_beta   90.00442820
_cell_angle_gamma   92.01837558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi3O6
_chemical_formula_sum   'Mg1 Ti3 O6'
_cell_volume   115.75450538
_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  0.50033600  0.99924000  0.65812300  1.0
  Ti  Ti1  1  0.60229300  0.34517900  0.16786600  1.0
  Ti  Ti2  1  0.39825100  0.65364800  0.51302100  1.0
  Ti  Ti3  1  0.00027800  0.99948300  0.11695700  1.0
  O  O4  1  0.83491400  0.15050800  0.51985900  1.0
  O  O5  1  0.70926800  0.47669100  0.61735000  1.0
  O  O6  1  0.65275900  0.84494800  0.22667700  1.0
  O  O7  1  0.34810400  0.15388900  0.07080400  1.0
  O  O8  1  0.29148800  0.52211500  0.09445600  1.0
  O  O9  1  0.16569600  0.84796400  0.66953700  1.0