# generated using pymatgen
data_LiSc4Al17Ni6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27481367
_cell_length_b   7.25631459
_cell_length_c   8.99937543
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.61553610
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc4Al17Ni6
_chemical_formula_sum   'Li1 Sc4 Al17 Ni6'
_cell_volume   413.00040913
_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
  Li  Li0  1  0.34050382  0.56285104  0.25000000  1.0
  Sc  Sc1  1  0.98523945  0.67075452  0.25000000  1.0
  Sc  Sc2  1  0.00901108  0.32882161  0.75000000  1.0
  Sc  Sc3  1  0.67752019  0.99979061  0.25000000  1.0
  Sc  Sc4  1  0.32696014  0.00635543  0.75000000  1.0
  Al  Al5  1  0.00100276  0.34092426  0.07735033  1.0
  Al  Al6  1  0.00328052  0.66425411  0.92677222  1.0
  Al  Al7  1  0.00328052  0.66425411  0.57322778  1.0
  Al  Al8  1  0.33437164  0.98899053  0.42274325  1.0
  Al  Al9  1  0.00100276  0.34092426  0.42264967  1.0
  Al  Al10  1  0.66570528  0.00536044  0.57408408  1.0
  Al  Al11  1  0.66570528  0.00536044  0.92591592  1.0
  Al  Al12  1  0.33437164  0.98899053  0.07725675  1.0
  Al  Al13  1  0.65936718  0.43912422  0.75000000  1.0
  Al  Al14  1  0.55067211  0.33957702  0.25000000  1.0
  Al  Al15  1  0.44488572  0.65765285  0.75000000  1.0
  Al  Al16  1  0.33055747  0.32932265  0.54419528  1.0
  Al  Al17  1  0.66638653  0.67085252  0.44542439  1.0
  Al  Al18  1  0.66638653  0.67085252  0.05457561  1.0
  Al  Al19  1  0.33055747  0.32932265  0.95580472  1.0
  Al  Al20  1  0.12508589  0.12409406  0.25000000  1.0
  Al  Al21  1  0.87876396  0.87797522  0.75000000  1.0
  Ni  Ni22  1  0.67222019  0.32683121  0.00127123  1.0
  Ni  Ni23  1  0.32723016  0.67178468  0.99078342  1.0
  Ni  Ni24  1  0.32723016  0.67178468  0.50921658  1.0
  Ni  Ni25  1  0.67222019  0.32683121  0.49872877  1.0
  Ni  Ni26  1  0.00024017  0.99818030  0.00002219  1.0
  Ni  Ni27  1  0.00024017  0.99818030  0.49997781  1.0