# generated using pymatgen
data_Sc2Ni7B2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85362510
_cell_length_b   4.85369840
_cell_length_c   13.78627074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99471999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni7B2Au
_chemical_formula_sum   'Sc4 Ni14 B4 Au2'
_cell_volume   281.28045303
_cell_formula_units_Z   2
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  0.66637306  0.33316732  0.47212161  1.0
  Sc  Sc1  1  0.33362694  0.66683268  0.97212161  1.0
  Sc  Sc2  1  0.33267797  0.66676633  0.74037766  1.0
  Sc  Sc3  1  0.66732203  0.33323367  0.24037766  1.0
  Ni  Ni4  1  0.00023937  0.00010388  0.00041271  1.0
  Ni  Ni5  1  0.99976063  0.99989612  0.50041271  1.0
  Ni  Ni6  1  0.16602032  0.33096451  0.14660816  1.0
  Ni  Ni7  1  0.83397968  0.66903549  0.64660816  1.0
  Ni  Ni8  1  0.66962961  0.83439997  0.14668035  1.0
  Ni  Ni9  1  0.16614942  0.83448943  0.14650511  1.0
  Ni  Ni10  1  0.83385058  0.16551057  0.64650511  1.0
  Ni  Ni11  1  0.33037039  0.16560003  0.64668035  1.0
  Ni  Ni12  1  0.83349197  0.66766357  0.85404573  1.0
  Ni  Ni13  1  0.83342363  0.16632403  0.85414387  1.0
  Ni  Ni14  1  0.33205191  0.16631674  0.85398399  1.0
  Ni  Ni15  1  0.66794809  0.83368326  0.35398399  1.0
  Ni  Ni16  1  0.16657637  0.83367597  0.35414387  1.0
  Ni  Ni17  1  0.16650803  0.33233643  0.35404573  1.0
  B  B18  1  0.33369683  0.66663496  0.25048689  1.0
  B  B19  1  0.66630317  0.33336504  0.75048689  1.0
  B  B20  1  0.00091109  0.99985707  0.25318441  1.0
  B  B21  1  0.99908891  0.00014293  0.75318441  1.0
  Au  Au22  1  0.33311488  0.66653880  0.53144950  1.0
  Au  Au23  1  0.66688512  0.33346120  0.03144950  1.0