# generated using pymatgen
data_MgTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85670100
_cell_length_b   4.85878300
_cell_length_c   5.27963500
_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   'Mg1 Ti3'
_cell_volume   73.28181031
_cell_formula_units_Z   1
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  0.50000000  0.32261100  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.98433200  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.53017800  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.82954500  1.0