# generated using pymatgen
data_Ti6Si2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77759024
_cell_length_b   6.77759084
_cell_length_c   3.30442852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Si2B
_chemical_formula_sum   'Ti6 Si2 B1'
_cell_volume   131.45516063
_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  0.23861374  1.00000000  0.50000000  1.0
  Ti  Ti1  1  0.76138626  0.76138626  0.50000000  1.0
  Ti  Ti2  1  0.00000000  0.23861374  0.50000000  1.0
  Ti  Ti3  1  0.59975625  0.00000000  -0.00000000  1.0
  Ti  Ti4  1  0.40024375  0.40024375  0.00000000  1.0
  Ti  Ti5  1  1.00000000  0.59975625  -0.00000000  1.0
  Si  Si6  1  0.33333300  0.66666700  0.50000000  1.0
  Si  Si7  1  0.66666700  0.33333300  0.50000000  1.0
  B  B8  1  -0.00000000  -0.00000000  0.00000000  1.0