# generated using pymatgen
data_ScAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18618656
_cell_length_b   5.17371345
_cell_length_c   8.82170873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlNi
_chemical_formula_sum   'Sc8 Al8 Ni8'
_cell_volume   373.62568437
_cell_formula_units_Z   8
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  0.66702100  0.20310700  1
  Sc  Sc1  1  0.00000000  0.33100200  0.32536000  1
  Sc  Sc2  1  0.00000000  0.33100200  0.67464000  1
  Sc  Sc3  1  0.00000000  0.66702100  0.79689300  1
  Sc  Sc4  1  0.50000000  0.16702100  0.20310700  1
  Sc  Sc5  1  0.50000000  0.83100200  0.32536000  1
  Sc  Sc6  1  0.50000000  0.83100200  0.67464000  1
  Sc  Sc7  1  0.50000000  0.16702100  0.79689300  1
  Al  Al8  1  0.00000000  0.00607900  0.26394700  1
  Al  Al9  1  0.00000000  0.00607900  0.73605300  1
  Al  Al10  1  0.24403000  0.41217600  0.00000000  1
  Al  Al11  1  0.75597000  0.41217600  0.00000000  1
  Al  Al12  1  0.50000000  0.50607900  0.26394700  1
  Al  Al13  1  0.50000000  0.50607900  0.73605300  1
  Al  Al14  1  0.74403000  0.91217600  0.00000000  1
  Al  Al15  1  0.25597000  0.91217600  0.00000000  1
  Ni  Ni16  1  0.00000000  0.16666200  0.00000000  1
  Ni  Ni17  1  0.75940600  0.58561700  0.50000000  1
  Ni  Ni18  1  0.24059400  0.58561700  0.50000000  1
  Ni  Ni19  1  0.00000000  0.82959800  0.50000000  1
  Ni  Ni20  1  0.50000000  0.66666700  0.00000000  1
  Ni  Ni21  1  0.25940600  0.08561700  0.50000000  1
  Ni  Ni22  1  0.74059400  0.08561700  0.50000000  1
  Ni  Ni23  1  0.50000000  0.32959800  0.50000000  1
