# generated using pymatgen
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10955522
_cell_length_b   8.10955522
_cell_length_c   4.88423200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   158.71494188
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi
_chemical_formula_sum   'Mg3 Ti3'
_cell_volume   116.60222749
_cell_formula_units_Z   3
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  0.33642300  0.66357700  0.00000000  1.0
  Mg  Mg1  1  0.10980500  0.89019500  0.50000000  1.0
  Mg  Mg2  1  0.77615500  0.22384500  0.50000000  1.0
  Ti  Ti3  1  0.00501800  0.99498200  0.00000000  1.0
  Ti  Ti4  1  0.65278200  0.34721800  0.00000000  1.0
  Ti  Ti5  1  0.45315000  0.54685000  0.50000000  1.0