# generated using pymatgen
data_Ti3Cr(PRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75728527
_cell_length_b   6.16704321
_cell_length_c   7.04887352
_cell_angle_alpha   89.83814845
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Cr(PRu)4
_chemical_formula_sum   'Ti3 Cr1 P4 Ru4'
_cell_volume   163.33119756
_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  0.25000000  0.02336074  0.17426613  1.0
  Ti  Ti1  1  0.25000000  0.52678949  0.32400920  1.0
  Ti  Ti2  1  0.75000000  0.97592903  0.82459001  1.0
  Cr  Cr3  1  0.75000000  0.46959385  0.68038860  1.0
  P  P4  1  0.25000000  0.77462503  0.62681953  1.0
  P  P5  1  0.25000000  0.26976690  0.87395826  1.0
  P  P6  1  0.75000000  0.22774075  0.37606160  1.0
  P  P7  1  0.75000000  0.73169726  0.12306978  1.0
  Ru  Ru8  1  0.25000000  0.15801421  0.55858057  1.0
  Ru  Ru9  1  0.25000000  0.65003161  0.93530783  1.0
  Ru  Ru10  1  0.75000000  0.84529301  0.44166596  1.0
  Ru  Ru11  1  0.75000000  0.34716013  0.06128353  1.0