# generated using pymatgen
data_TiPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23334157
_cell_length_b   6.23334105
_cell_length_c   3.65640302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPRu
_chemical_formula_sum   'Ti3 P3 Ru3'
_cell_volume   123.03438246
_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  0.41637758  0.41637758  0.50000000  1.0
  Ti  Ti1  1  0.58362242  0.00000000  0.50000000  1.0
  Ti  Ti2  1  0.00000000  0.58362242  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.50000000  1.0
  P  P4  1  0.66666700  0.33333300  -0.00000000  1.0
  P  P5  1  0.33333300  0.66666700  -0.00000000  1.0
  Ru  Ru6  1  -0.00000000  0.25092879  0.00000000  1.0
  Ru  Ru7  1  0.25092879  0.00000000  0.00000000  1.0
  Ru  Ru8  1  0.74907121  0.74907121  -0.00000000  1.0