# generated using pymatgen
data_Mg6TiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73626000
_cell_length_b   5.71142000
_cell_length_c   11.08499800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6TiB
_chemical_formula_sum   'Mg12 Ti2 B2'
_cell_volume   299.85773234
_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  0.50000000  0.24928400  0.42880800  1.0
  Mg  Mg1  1  0.50000000  0.75071600  0.42880800  1.0
  Mg  Mg2  1  0.00000000  0.75029800  0.08202400  1.0
  Mg  Mg3  1  0.00000000  0.24970200  0.08202400  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.33027300  1.0
  Mg  Mg5  1  0.00000000  0.50000000  0.30967400  1.0
  Mg  Mg6  1  0.50000000  0.74928400  0.92880800  1.0
  Mg  Mg7  1  0.50000000  0.25071600  0.92880800  1.0
  Mg  Mg8  1  0.00000000  0.25029800  0.58202400  1.0
  Mg  Mg9  1  0.00000000  0.74970200  0.58202400  1.0
  Mg  Mg10  1  0.00000000  0.50000000  0.83027300  1.0
  Mg  Mg11  1  0.00000000  0.00000000  0.80967400  1.0
  Ti  Ti12  1  0.50000000  0.00000000  0.17916700  1.0
  Ti  Ti13  1  0.50000000  0.50000000  0.67916700  1.0
  B  B14  1  0.50000000  0.50000000  0.15922000  1.0
  B  B15  1  0.50000000  0.00000000  0.65922000  1.0