# generated using pymatgen
data_Ti3P2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63872195
_cell_length_b   6.21101353
_cell_length_c   7.52439805
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3P2Ru
_chemical_formula_sum   'Ti6 P4 Ru2'
_cell_volume   170.05253419
_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  0.75000000  0.53137090  0.32567350  1.0
  Ti  Ti1  1  0.25000000  0.96979228  0.82997042  1.0
  Ti  Ti2  1  0.75000000  0.03137090  0.17432650  1.0
  Ti  Ti3  1  0.25000000  0.46979228  0.67002958  1.0
  Ti  Ti4  1  0.25000000  0.35503239  0.05617298  1.0
  Ti  Ti5  1  0.25000000  0.85503239  0.44382702  1.0
  P  P6  1  0.25000000  0.74704981  0.12951635  1.0
  P  P7  1  0.25000000  0.24704981  0.37048365  1.0
  P  P8  1  0.75000000  0.25897510  0.85190606  1.0
  P  P9  1  0.75000000  0.75897510  0.64809394  1.0
  Ru  Ru10  1  0.75000000  0.13777853  0.55638303  1.0
  Ru  Ru11  1  0.75000000  0.63777853  0.94361697  1.0