# generated using pymatgen
data_Ti6SiBP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68191675
_cell_length_b   6.68191683
_cell_length_c   3.32097473
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SiBP
_chemical_formula_sum   'Ti6 Si1 B1 P1'
_cell_volume   128.40986049
_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  0.23967494  0.99842731  0.50000000  1.0
  Ti  Ti1  1  0.75875336  0.76032506  0.50000000  1.0
  Ti  Ti2  1  0.00157269  0.24124664  0.50000000  1.0
  Ti  Ti3  1  0.59428072  0.99334070  0.00000000  1.0
  Ti  Ti4  1  0.39905998  0.40571928  0.00000000  1.0
  Ti  Ti5  1  0.00665930  0.60094002  0.00000000  1.0
  Si  Si6  1  0.66666700  0.33333300  0.50000000  1.0
  B  B7  1  0.00000000  0.00000000  0.00000000  1.0
  P  P8  1  0.33333300  0.66666700  0.50000000  1.0