# generated using pymatgen
data_TiB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19874764
_cell_length_b   5.19874745
_cell_length_c   5.19874700
_cell_angle_alpha   60.00000920
_cell_angle_beta   60.00001045
_cell_angle_gamma   60.00000939
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiB12
_chemical_formula_sum   'Ti1 B12'
_cell_volume   99.35305751
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.00000000  1.0
  B  B1  1  0.83937500  0.50000000  0.50000000  1.0
  B  B2  1  0.50000000  0.50000000  0.83937500  1.0
  B  B3  1  0.83937500  0.16062500  0.50000000  1.0
  B  B4  1  0.50000000  0.83937500  0.16062500  1.0
  B  B5  1  0.50000000  0.16062500  0.83937500  1.0
  B  B6  1  0.50000000  0.83937500  0.50000000  1.0
  B  B7  1  0.83937500  0.50000000  0.16062500  1.0
  B  B8  1  0.16062500  0.83937500  0.50000000  1.0
  B  B9  1  0.50000000  0.16062500  0.50000000  1.0
  B  B10  1  0.16062500  0.50000000  0.83937500  1.0
  B  B11  1  0.50000000  0.50000000  0.16062500  1.0
  B  B12  1  0.16062500  0.50000000  0.50000000  1.0