# generated using pymatgen
data_Mg14TiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30546041
_cell_length_b   6.04216540
_cell_length_c   9.99730763
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.62805747
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14TiB
_chemical_formula_sum   'Mg14 Ti1 B1'
_cell_volume   334.32014283
_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  0.16774022  0.33386961  0.62500000  1.0
  Mg  Mg1  1  0.16087446  0.83043673  0.62500000  1.0
  Mg  Mg2  1  0.63166280  0.30352157  0.12500000  1.0
  Mg  Mg3  1  0.66095446  0.33474656  0.62500000  1.0
  Mg  Mg4  1  0.63166280  0.82814022  0.12500000  1.0
  Mg  Mg5  1  0.66095446  0.82620690  0.62500000  1.0
  Mg  Mg6  1  0.33008307  0.16451259  0.35946234  1.0
  Mg  Mg7  1  0.33008307  0.16451259  0.89053766  1.0
  Mg  Mg8  1  0.33008307  0.66557149  0.35946234  1.0
  Mg  Mg9  1  0.33008307  0.66557149  0.89053766  1.0
  Mg  Mg10  1  0.83894993  0.16947547  0.37468831  1.0
  Mg  Mg11  1  0.83894993  0.16947547  0.87531169  1.0
  Mg  Mg12  1  0.86391857  0.68195979  0.34277845  1.0
  Mg  Mg13  1  0.86391857  0.68195979  0.90722155  1.0
  Ti  Ti14  1  0.13600681  0.31800290  0.12500000  1.0
  B  B15  1  0.22407468  0.86203684  0.12500000  1.0