# generated using pymatgen
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40598135
_cell_length_b   8.40598135
_cell_length_c   4.80147800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   159.72362286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi
_chemical_formula_sum   'Mg3 Ti3'
_cell_volume   117.57537004
_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  0.99839900  0.00160100  0.00000000  1.0
  Mg  Mg1  1  0.67898200  0.32101800  0.00000000  1.0
  Mg  Mg2  1  0.10602400  0.89397600  0.50000000  1.0
  Ti  Ti3  1  0.33996800  0.66003200  0.00000000  1.0
  Ti  Ti4  1  0.42545900  0.57454100  0.50000000  1.0
  Ti  Ti5  1  0.78450100  0.21549900  0.50000000  1.0