# generated using pymatgen
data_Ti3Cr2P3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37960088
_cell_length_b   6.39083972
_cell_length_c   3.30904798
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.05828375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Cr2P3Ru
_chemical_formula_sum   'Ti3 Cr2 P3 Ru1'
_cell_volume   116.76959325
_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  0.41521315  0.40727977  0.50000000  1.0
  Ti  Ti1  1  0.58478685  0.99206762  0.50000000  1.0
  Ti  Ti2  1  1.00000000  0.60331199  0.50000000  1.0
  Cr  Cr3  1  0.25277829  0.00053959  0.00000000  1.0
  Cr  Cr4  1  0.74722171  0.74776230  0.00000000  1.0
  P  P5  1  0.66602405  0.33405668  0.00000000  1.0
  P  P6  1  0.33397595  0.66803363  0.00000000  1.0
  P  P7  1  1.00000000  0.99594509  0.50000000  1.0
  Ru  Ru8  1  1.00000000  0.25100333  0.00000000  1.0