# generated using pymatgen
data_Mg3Ti4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96489886
_cell_length_b   7.96489886
_cell_length_c   4.89479200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000715
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ti4
_chemical_formula_sum   'Mg6 Ti8'
_cell_volume   268.92140577
_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  0.47146800  0.37835000  0.25000000  1.0
  Mg  Mg1  1  0.90688100  0.52853200  0.25000000  1.0
  Mg  Mg2  1  0.37835000  0.90688100  0.75000000  1.0
  Mg  Mg3  1  0.62165000  0.09311900  0.25000000  1.0
  Mg  Mg4  1  0.09311900  0.47146800  0.75000000  1.0
  Mg  Mg5  1  0.52853200  0.62165000  0.75000000  1.0
  Ti  Ti6  1  0.22580500  0.18150000  0.75000000  1.0
  Ti  Ti7  1  0.95569500  0.77419500  0.75000000  1.0
  Ti  Ti8  1  0.18150000  0.95569500  0.25000000  1.0
  Ti  Ti9  1  0.66666700  0.33333300  0.75000000  1.0
  Ti  Ti10  1  0.33333300  0.66666700  0.25000000  1.0
  Ti  Ti11  1  0.81850000  0.04430500  0.75000000  1.0
  Ti  Ti12  1  0.04430500  0.22580500  0.25000000  1.0
  Ti  Ti13  1  0.77419500  0.81850000  0.25000000  1.0