# generated using pymatgen
data_Ti3PO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29289469
_cell_length_b   5.29289509
_cell_length_c   7.70262937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   144.20925933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3PO
_chemical_formula_sum   'Ti6 P2 O2'
_cell_volume   126.19805300
_cell_formula_units_Z   2
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  0.93995949  0.06004051  0.25000000  1.0
  Ti  Ti1  1  0.06004051  0.93995949  0.75000000  1.0
  Ti  Ti2  1  0.64118682  0.35881318  0.44322885  1.0
  Ti  Ti3  1  0.35881318  0.64118682  0.55677115  1.0
  Ti  Ti4  1  0.64118682  0.35881318  0.05677115  1.0
  Ti  Ti5  1  0.35881318  0.64118682  0.94322885  1.0
  P  P6  1  0.25699976  0.74300024  0.25000000  1.0
  P  P7  1  0.74300024  0.25699976  0.75000000  1.0
  O  O8  1  0.00000000  0.00000000  0.50000000  1.0
  O  O9  1  0.00000000  0.00000000  0.00000000  1.0