# generated using pymatgen
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97042100
_cell_length_b   5.46515500
_cell_length_c   9.17846500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ti
_chemical_formula_sum   'Mg8 Ti4'
_cell_volume   249.32493551
_cell_formula_units_Z   4
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  0.41124200  0.00000000  1.0
  Mg  Mg1  1  0.00000000  0.40999100  0.32828000  1.0
  Mg  Mg2  1  0.00000000  0.92647300  0.50000000  1.0
  Mg  Mg3  1  0.00000000  0.40999100  0.67172000  1.0
  Mg  Mg4  1  0.50000000  0.07352700  0.00000000  1.0
  Mg  Mg5  1  0.50000000  0.59000900  0.17172000  1.0
  Mg  Mg6  1  0.50000000  0.58875800  0.50000000  1.0
  Mg  Mg7  1  0.50000000  0.59000900  0.82828000  1.0
  Ti  Ti8  1  0.00000000  0.92432100  0.16822900  1.0
  Ti  Ti9  1  0.00000000  0.92432100  0.83177100  1.0
  Ti  Ti10  1  0.50000000  0.07567900  0.33177100  1.0
  Ti  Ti11  1  0.50000000  0.07567900  0.66822900  1.0