# generated using pymatgen
data_Ti6BP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56749402
_cell_length_b   6.56749290
_cell_length_c   3.37067917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6BP2
_chemical_formula_sum   'Ti6 B1 P2'
_cell_volume   125.90627217
_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  1.00000000  0.24084756  0.50000000  1.0
  Ti  Ti1  1  0.24084756  0.00000000  0.50000000  1.0
  Ti  Ti2  1  0.75915244  0.75915244  0.50000000  1.0
  Ti  Ti3  1  0.59462074  1.00000000  0.00000000  1.0
  Ti  Ti4  1  0.40537926  0.40537926  0.00000000  1.0
  Ti  Ti5  1  0.00000000  0.59462074  0.00000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  P  P7  1  0.66666700  0.33333300  0.50000000  1.0
  P  P8  1  0.33333300  0.66666700  0.50000000  1.0