# generated using pymatgen
data_Si3Ni4PRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69915962
_cell_length_b   5.54297674
_cell_length_c   6.89944296
_cell_angle_alpha   90.23574521
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Ni4PRu4
_chemical_formula_sum   'Si3 Ni4 P1 Ru4'
_cell_volume   141.46743541
_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
  Si  Si0  1  0.00000000  0.24900699  0.11941285  1.0
  Si  Si1  1  0.00000000  0.75130467  0.37935483  1.0
  Si  Si2  1  0.50000000  0.75003651  0.88257740  1.0
  Ni  Ni3  1  0.00000000  0.64837227  0.06191599  1.0
  Ni  Ni4  1  0.00000000  0.15275885  0.44112379  1.0
  Ni  Ni5  1  0.50000000  0.34536484  0.93111994  1.0
  Ni  Ni6  1  0.50000000  0.86126990  0.56451289  1.0
  P  P7  1  0.50000000  0.25435250  0.61726776  1.0
  Ru  Ru8  1  0.00000000  0.52255903  0.68187857  1.0
  Ru  Ru9  1  0.00000000  0.02326596  0.81592156  1.0
  Ru  Ru10  1  0.50000000  0.46988814  0.31785642  1.0
  Ru  Ru11  1  0.50000000  0.97181734  0.18705998  1.0