# generated using pymatgen
data_Sc3P3IrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46808815
_cell_length_b   6.45922982
_cell_length_c   3.72982508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95470067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3P3IrRu2
_chemical_formula_sum   'Sc3 P3 Ir1 Ru2'
_cell_volume   135.01245172
_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  0.41585240  0.41525722  0.50000000  1.0
  Sc  Sc1  1  0.58414760  0.99940481  0.50000000  1.0
  Sc  Sc2  1  0.00000000  0.58227819  0.50000000  1.0
  P  P3  1  0.66485825  0.33455625  0.00000000  1.0
  P  P4  1  0.33514175  0.66969900  0.00000000  1.0
  P  P5  1  0.00000000  0.99387024  0.50000000  1.0
  Ir  Ir6  1  0.00000000  0.24661022  0.00000000  1.0
  Ru  Ru7  1  0.24339284  0.00085796  0.00000000  1.0
  Ru  Ru8  1  0.75660716  0.75746511  0.00000000  1.0