# generated using pymatgen
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77778300
_cell_length_b   6.01551200
_cell_length_c   8.32334109
_cell_angle_alpha   79.58979162
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi
_chemical_formula_sum   'Mg6 Ti6'
_cell_volume   235.28184929
_cell_formula_units_Z   6
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  0.25000000  0.46819100  0.61210100  1.0
  Mg  Mg1  1  0.25000000  0.97659000  0.60892300  1.0
  Mg  Mg2  1  0.75000000  0.53180900  0.38789900  1.0
  Mg  Mg3  1  0.75000000  0.02341000  0.39107700  1.0
  Mg  Mg4  1  0.25000000  0.31117100  0.26718200  1.0
  Mg  Mg5  1  0.75000000  0.68882900  0.73281800  1.0
  Ti  Ti6  1  0.25000000  0.81601000  0.24127100  1.0
  Ti  Ti7  1  0.75000000  0.86904500  0.04752600  1.0
  Ti  Ti8  1  0.75000000  0.34972000  0.04836300  1.0
  Ti  Ti9  1  0.25000000  0.65028000  0.95163700  1.0
  Ti  Ti10  1  0.25000000  0.13095500  0.95247400  1.0
  Ti  Ti11  1  0.75000000  0.18399000  0.75872900  1.0