# generated using pymatgen
data_ScTi(PRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34403906
_cell_length_b   7.34010312
_cell_length_c   7.34403996
_cell_angle_alpha   128.23897964
_cell_angle_beta   121.19746022
_cell_angle_gamma   82.14459689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi(PRu)2
_chemical_formula_sum   'Sc3 Ti3 P6 Ru6'
_cell_volume   255.81645414
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.46851400  0.24486213  0.27634813  1.0
  Sc  Sc1  1  0.53180877  0.80646477  0.77465700  1.0
  Sc  Sc2  1  0.74574803  0.66463390  0.41888487  1.0
  Ti  Ti3  1  0.25128644  0.66606174  0.91477531  1.0
  Ti  Ti4  1  0.04964942  0.84460239  0.29495397  1.0
  Ti  Ti5  1  0.95085480  0.23860536  0.78775057  1.0
  P  P6  1  0.84528790  0.57919053  0.75889488  1.0
  P  P7  1  0.16006299  0.91190647  0.74032362  1.0
  P  P8  1  0.67158485  0.91190647  0.25184449  1.0
  P  P9  1  0.32029765  0.57919053  0.23390263  1.0
  P  P10  1  0.27740753  0.29826886  0.52086034  1.0
  P  P11  1  0.73102277  0.21680864  0.98578587  1.0
  Ru  Ru12  1  0.65616915  0.49366156  0.90292774  1.0
  Ru  Ru13  1  0.34451530  0.24481314  0.83774997  1.0
  Ru  Ru14  1  0.90706417  0.24481314  0.40029784  1.0
  Ru  Ru15  1  0.09073383  0.49366156  0.33749441  1.0
  Ru  Ru16  1  0.02240292  0.00047140  0.02488089  1.0
  Ru  Ru17  1  0.47559150  0.00047140  0.47806948  1.0