# generated using pymatgen
data_Ti6SiPO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36317056
_cell_length_b   5.36317175
_cell_length_c   7.83944773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.39097662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SiPO2
_chemical_formula_sum   'Ti6 Si1 P1 O2'
_cell_volume   128.07275690
_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  0.94892753  0.05107247  0.25000000  1.0
  Ti  Ti1  1  0.05954296  0.94045704  0.75000000  1.0
  Ti  Ti2  1  0.63861116  0.36138884  0.44987252  1.0
  Ti  Ti3  1  0.35832189  0.64167811  0.55818446  1.0
  Ti  Ti4  1  0.63861116  0.36138884  0.05012748  1.0
  Ti  Ti5  1  0.35832189  0.64167811  0.94181554  1.0
  Si  Si6  1  0.25714138  0.74285862  0.25000000  1.0
  P  P7  1  0.74222632  0.25777368  0.75000000  1.0
  O  O8  1  0.99914835  0.00085165  0.50270384  1.0
  O  O9  1  0.99914835  0.00085165  0.99729616  1.0