# generated using pymatgen
data_Sc3Si2PRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73220429
_cell_length_b   6.73220528
_cell_length_c   3.51150292
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Si2PRu3
_chemical_formula_sum   'Sc3 Si2 P1 Ru3'
_cell_volume   137.82826234
_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
  Sc  Sc0  1  0.40503222  0.41078600  0.50000000  1.0
  Sc  Sc1  1  0.58921400  0.99424622  0.50000000  1.0
  Sc  Sc2  1  0.00575378  0.59496778  0.50000000  1.0
  Si  Si3  1  0.66666700  0.33333300  0.00000000  1.0
  Si  Si4  1  0.00000000  0.00000000  0.50000000  1.0
  P  P5  1  0.33333300  0.66666700  0.00000000  1.0
  Ru  Ru6  1  0.00186501  0.24949652  0.00000000  1.0
  Ru  Ru7  1  0.24763151  0.99813499  0.00000000  1.0
  Ru  Ru8  1  0.75050348  0.75236849  0.00000000  1.0