# generated using pymatgen
data_TiPOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23225102
_cell_length_b   6.23225102
_cell_length_c   3.70937449
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPOs
_chemical_formula_sum   'Ti3 P3 Os3'
_cell_volume   124.77317605
_cell_formula_units_Z   3
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  0.41699242  0.41699242  0.50000000  1.0
  Ti  Ti1  1  0.58300758  -0.00000000  0.50000000  1.0
  Ti  Ti2  1  -0.00000000  0.58300758  0.50000000  1.0
  P  P3  1  0.66666700  0.33333300  -0.00000000  1.0
  P  P4  1  0.33333300  0.66666700  0.00000000  1.0
  P  P5  1  0.00000000  0.00000000  0.50000000  1.0
  Os  Os6  1  0.74674223  0.74674223  0.00000000  1.0
  Os  Os7  1  0.25325777  0.00000000  -0.00000000  1.0
  Os  Os8  1  0.00000000  0.25325777  0.00000000  1.0