# generated using pymatgen
data_Sc4Ni(AsRu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99518004
_cell_length_b   6.99517948
_cell_length_c   6.99518043
_cell_angle_alpha   109.22920218
_cell_angle_beta   109.95636473
_cell_angle_gamma   109.22918615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Ni(AsRu)6
_chemical_formula_sum   'Sc4 Ni1 As6 Ru6'
_cell_volume   263.48228232
_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  0.00199107  0.00398214  0.50199107  1.0
  Sc  Sc1  1  0.49800893  0.99601786  0.99800893  1.0
  Sc  Sc2  1  0.00199107  0.50000000  0.99800893  1.0
  Sc  Sc3  1  0.49800993  0.50000000  0.50199007  1.0
  Ni  Ni4  1  0.75000000  0.50000000  0.25000000  1.0
  As  As5  1  0.31311124  0.00000100  0.31311224  1.0
  As  As6  1  0.99650044  0.31529928  0.31179772  1.0
  As  As7  1  0.99649744  0.68470072  0.68120016  1.0
  As  As8  1  0.31879984  0.31529928  0.00350256  1.0
  As  As9  1  0.68820228  0.68470072  0.00349956  1.0
  As  As10  1  0.68688776  0.99999900  0.68688876  1.0
  Ru  Ru11  1  0.50146304  0.74924222  0.25070726  1.0
  Ru  Ru12  1  0.50146404  0.25075778  0.75222082  1.0
  Ru  Ru13  1  0.74929274  0.25075778  0.49853696  1.0
  Ru  Ru14  1  0.24777918  0.74924222  0.49853596  1.0
  Ru  Ru15  1  0.25000000  0.50000000  0.75000000  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0