# generated using pymatgen
data_CrP2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83076628
_cell_length_b   6.01202668
_cell_length_c   6.90020493
_cell_angle_alpha   91.01848246
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrP2Ru3
_chemical_formula_sum   'Cr2 P4 Ru6'
_cell_volume   158.89122988
_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
  Cr  Cr0  1  0.75000000  0.04168699  0.68100062  1.0
  Cr  Cr1  1  0.25000000  0.95831301  0.31899938  1.0
  P  P2  1  0.25000000  0.72994606  0.61774015  1.0
  P  P3  1  0.75000000  0.27005394  0.38225985  1.0
  P  P4  1  0.25000000  0.24025768  0.88388144  1.0
  P  P5  1  0.75000000  0.75974232  0.11611856  1.0
  Ru  Ru6  1  0.75000000  0.52173397  0.84359648  1.0
  Ru  Ru7  1  0.25000000  0.47826603  0.15640352  1.0
  Ru  Ru8  1  0.25000000  0.34798243  0.56121667  1.0
  Ru  Ru9  1  0.75000000  0.65201757  0.43878333  1.0
  Ru  Ru10  1  0.25000000  0.85442380  0.92561143  1.0
  Ru  Ru11  1  0.75000000  0.14557620  0.07438857  1.0