# generated using pymatgen
data_Sc6Al6NiAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05613698
_cell_length_b   7.05611173
_cell_length_c   7.50030027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99976277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Al6NiAu5
_chemical_formula_sum   'Sc6 Al6 Ni1 Au5'
_cell_volume   323.40205294
_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  0.60049248  0.99951115  0.75000000  1.0
  Sc  Sc1  1  0.00049026  0.60098927  0.75000000  1.0
  Sc  Sc2  1  0.39901599  0.39949947  0.75000000  1.0
  Sc  Sc3  1  0.99956499  0.58792382  0.25000000  1.0
  Sc  Sc4  1  0.58836472  0.00043540  0.25000000  1.0
  Sc  Sc5  1  0.41207510  0.41164006  0.25000000  1.0
  Al  Al6  1  0.75621747  0.75615697  0.98561159  1.0
  Al  Al7  1  0.24384550  0.00006170  0.98562300  1.0
  Al  Al8  1  0.99993566  0.24378223  0.98560861  1.0
  Al  Al9  1  0.75621747  0.75615697  0.51438841  1.0
  Al  Al10  1  0.24384550  0.00006170  0.51437700  1.0
  Al  Al11  1  0.99993566  0.24378223  0.51439139  1.0
  Ni  Ni12  1  0.99999870  0.99999696  0.75000000  1.0
  Au  Au13  1  0.99999947  0.00000172  0.25000000  1.0
  Au  Au14  1  0.66666733  0.33333379  0.99901533  1.0
  Au  Au15  1  0.66666733  0.33333379  0.50098467  1.0
  Au  Au16  1  0.33333369  0.66666589  0.50042405  1.0
  Au  Au17  1  0.33333369  0.66666589  0.99957595  1.0