# generated using pymatgen
data_Sc4As6Ir6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06938842
_cell_length_b   7.06938946
_cell_length_c   7.06938961
_cell_angle_alpha   109.47121542
_cell_angle_beta   109.47121842
_cell_angle_gamma   109.47122384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4As6Ir6Ru
_chemical_formula_sum   'Sc4 As6 Ir6 Ru1'
_cell_volume   271.97175373
_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  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.50000000  0.00000000  0.00000000  1.0
  Sc  Sc2  1  0.00000000  0.50000000  0.00000000  1.0
  Sc  Sc3  1  0.50000000  0.50000000  0.50000000  1.0
  As  As4  1  0.68775588  0.68775588  0.00000000  1.0
  As  As5  1  0.31224412  0.31224412  1.00000000  1.0
  As  As6  1  0.00000000  0.68775588  0.68775588  1.0
  As  As7  1  1.00000000  0.31224412  0.31224412  1.0
  As  As8  1  0.68775588  0.00000000  0.68775588  1.0
  As  As9  1  0.31224412  1.00000000  0.31224412  1.0
  Ir  Ir10  1  0.25000000  0.50000000  0.75000000  1.0
  Ir  Ir11  1  0.75000000  0.25000000  0.50000000  1.0
  Ir  Ir12  1  0.50000000  0.25000000  0.75000000  1.0
  Ir  Ir13  1  0.50000000  0.75000000  0.25000000  1.0
  Ir  Ir14  1  0.75000000  0.50000000  0.25000000  1.0
  Ir  Ir15  1  0.25000000  0.75000000  0.50000000  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0