# generated using pymatgen
data_TiCr(PRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75935455
_cell_length_b   6.18083516
_cell_length_c   6.98764046
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr(PRu)2
_chemical_formula_sum   'Ti2 Cr2 P4 Ru4'
_cell_volume   162.36446990
_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  0.97576378  0.82951059  1.0
  Ti  Ti1  1  0.75000000  0.47576378  0.67048941  1.0
  Cr  Cr2  1  0.25000000  0.02926507  0.17586386  1.0
  Cr  Cr3  1  0.25000000  0.52926507  0.32413614  1.0
  P  P4  1  0.25000000  0.77245011  0.62307262  1.0
  P  P5  1  0.25000000  0.27245011  0.87692738  1.0
  P  P6  1  0.75000000  0.22498120  0.37186295  1.0
  P  P7  1  0.75000000  0.72498120  0.12813705  1.0
  Ru  Ru8  1  0.25000000  0.15351805  0.55881220  1.0
  Ru  Ru9  1  0.25000000  0.65351805  0.94118780  1.0
  Ru  Ru10  1  0.75000000  0.84402180  0.43858994  1.0
  Ru  Ru11  1  0.75000000  0.34402180  0.06141006  1.0