# generated using pymatgen
data_Ti6Bi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13191466
_cell_length_b   7.13191466
_cell_length_c   3.59236500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00368900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Bi2B
_chemical_formula_sum   'Ti6 Bi2 B1'
_cell_volume   158.23670049
_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  0.21719565  0.99995205  0.00000000  1.0
  Ti  Ti1  1  0.99995205  0.21719465  0.00000000  1.0
  Ti  Ti2  1  0.78280247  0.78280247  0.00000000  1.0
  Ti  Ti3  1  0.63828033  0.99999494  0.50000000  1.0
  Ti  Ti4  1  0.36182344  0.36182344  0.50000000  1.0
  Ti  Ti5  1  0.99999494  0.63828033  0.50000000  1.0
  Bi  Bi6  1  0.66670597  0.33335834  0.00000000  1.0
  Bi  Bi7  1  0.33335934  0.66670697  0.00000000  1.0
  B  B8  1  0.99998780  0.99998780  0.50000000  1.0