# generated using pymatgen
data_Mg2TiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93272900
_cell_length_b   6.12230804
_cell_length_c   20.97149433
_cell_angle_alpha   82.08305461
_cell_angle_beta   82.36754106
_cell_angle_gamma   62.10751250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiO
_chemical_formula_sum   'Mg16 Ti8 O8'
_cell_volume   664.78010237
_cell_formula_units_Z   8
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  0.62689400  0.62280500  0.12491200  1.0
  Mg  Mg1  1  0.12174900  0.62545800  0.12643500  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg3  1  0.62283200  0.12939900  0.12342100  1.0
  Mg  Mg4  1  0.87482300  0.87534800  0.37487000  1.0
  Mg  Mg5  1  0.37494600  0.87526100  0.37474100  1.0
  Mg  Mg6  1  0.74930100  0.74991200  0.25017000  1.0
  Mg  Mg7  1  0.87457700  0.37480600  0.37511000  1.0
  Mg  Mg8  1  0.12517700  0.12465200  0.62513000  1.0
  Mg  Mg9  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg10  1  0.62505400  0.12473900  0.62525900  1.0
  Mg  Mg11  1  0.12542300  0.62519400  0.62489000  1.0
  Mg  Mg12  1  0.37310600  0.37719500  0.87508800  1.0
  Mg  Mg13  1  0.87825100  0.37454200  0.87356500  1.0
  Mg  Mg14  1  0.25069900  0.25008800  0.74983000  1.0
  Mg  Mg15  1  0.37716800  0.87060100  0.87657900  1.0
  Ti  Ti16  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti17  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti18  1  0.75020000  0.24954900  0.25126900  1.0
  Ti  Ti19  1  0.24996500  0.24911300  0.25025600  1.0
  Ti  Ti20  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti21  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti22  1  0.24980000  0.75045100  0.74873100  1.0
  Ti  Ti23  1  0.75003500  0.75088700  0.74974400  1.0
  O  O24  1  0.15541400  0.16457000  0.03256700  1.0
  O  O25  1  0.09075200  0.09125500  0.21616900  1.0
  O  O26  1  0.40465300  0.41244800  0.28272300  1.0
  O  O27  1  0.34455800  0.33643200  0.46751900  1.0
  O  O28  1  0.65544200  0.66356800  0.53248100  1.0
  O  O29  1  0.90924800  0.90874500  0.78383100  1.0
  O  O30  1  0.59534700  0.58755200  0.71727700  1.0
  O  O31  1  0.84458600  0.83543000  0.96743300  1.0