# generated using pymatgen
data_Sc4Ni2As6Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99325455
_cell_length_b   6.99325387
_cell_length_c   6.93402146
_cell_angle_alpha   109.66831833
_cell_angle_beta   109.66831364
_cell_angle_gamma   109.42377672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Ni2As6Ru5
_chemical_formula_sum   'Sc4 Ni2 As6 Ru5'
_cell_volume   259.92463862
_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  0.00828819  0.00828819  0.51266483  1.0
  Sc  Sc1  1  0.49733827  0.99733827  0.99467653  1.0
  Sc  Sc2  1  0.99733827  0.49733827  0.99467653  1.0
  Sc  Sc3  1  0.50437764  0.50437764  0.51266483  1.0
  Ni  Ni4  1  0.74908465  0.50093594  0.25002059  1.0
  Ni  Ni5  1  0.50093594  0.74908465  0.25002059  1.0
  As  As6  1  0.31147851  0.00046989  0.31194840  1.0
  As  As7  1  0.00046989  0.31147851  0.31194840  1.0
  As  As8  1  0.99720844  0.68174099  0.67894943  1.0
  As  As9  1  0.32250941  0.32250941  0.01085515  1.0
  As  As10  1  0.68834574  0.68834574  0.01085515  1.0
  As  As11  1  0.68174099  0.99720844  0.67894943  1.0
  Ru  Ru12  1  0.50208174  0.25192670  0.75400844  1.0
  Ru  Ru13  1  0.74484100  0.24484100  0.48968100  1.0
  Ru  Ru14  1  0.24484100  0.74484100  0.48968100  1.0
  Ru  Ru15  1  0.25192670  0.50208174  0.75400844  1.0
  Ru  Ru16  1  0.99719462  0.99719462  0.99438924  1.0