# generated using pymatgen
data_MgTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77662600
_cell_length_b   5.17873100
_cell_length_c   5.84377200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi3
_chemical_formula_sum   'Mg2 Ti6'
_cell_volume   144.55657651
_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  0.16073500  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.83926500  0.50000000  1.0
  Ti  Ti2  1  0.00000000  0.65625900  0.25215600  1.0
  Ti  Ti3  1  0.00000000  0.16691200  0.50000000  1.0
  Ti  Ti4  1  0.00000000  0.65625900  0.74784400  1.0
  Ti  Ti5  1  0.50000000  0.83308800  0.00000000  1.0
  Ti  Ti6  1  0.50000000  0.34374100  0.24784400  1.0
  Ti  Ti7  1  0.50000000  0.34374100  0.75215600  1.0