# generated using pymatgen
data_Mg3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95530300
_cell_length_b   5.48376800
_cell_length_c   6.20081400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ti
_chemical_formula_sum   'Mg6 Ti2'
_cell_volume   168.49925795
_cell_formula_units_Z   2
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  0.66845200  0.24739400  1.0
  Mg  Mg1  1  0.00000000  0.16509800  0.50000000  1.0
  Mg  Mg2  1  0.00000000  0.66845200  0.75260600  1.0
  Mg  Mg3  1  0.50000000  0.83490200  0.00000000  1.0
  Mg  Mg4  1  0.50000000  0.33154800  0.25260600  1.0
  Mg  Mg5  1  0.50000000  0.33154800  0.74739400  1.0
  Ti  Ti6  1  0.00000000  0.15545600  0.00000000  1.0
  Ti  Ti7  1  0.50000000  0.84454400  0.50000000  1.0