# generated using pymatgen
data_Sc5Al16Ir7Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68351347
_cell_length_b   8.71288132
_cell_length_c   8.71288180
_cell_angle_alpha   59.77713199
_cell_angle_beta   60.11144217
_cell_angle_gamma   60.11144425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Al16Ir7Se
_chemical_formula_sum   'Sc5 Al16 Ir7 Se1'
_cell_volume   466.11634300
_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  0.79766924  0.20233076  0.20233076  1.0
  Sc  Sc1  1  0.78654933  0.21345067  0.77791334  1.0
  Sc  Sc2  1  0.78654933  0.77791334  0.21345067  1.0
  Sc  Sc3  1  0.22208666  0.77791334  0.21345067  1.0
  Sc  Sc4  1  0.22208666  0.21345067  0.77791334  1.0
  Al  Al5  1  0.85631467  0.82757838  0.82757838  1.0
  Al  Al6  1  0.84282663  0.81940751  0.49494124  1.0
  Al  Al7  1  0.48852957  0.82757838  0.82757838  1.0
  Al  Al8  1  0.84282663  0.49494124  0.81940751  1.0
  Al  Al9  1  0.18059249  0.15717337  0.15717337  1.0
  Al  Al10  1  0.17242162  0.14368533  0.51147043  1.0
  Al  Al11  1  0.17242162  0.51147043  0.14368533  1.0
  Al  Al12  1  0.50505876  0.15717337  0.15717337  1.0
  Al  Al13  1  0.60989990  0.62032667  0.62032667  1.0
  Al  Al14  1  0.62916325  0.61552907  0.12614243  1.0
  Al  Al15  1  0.14944677  0.62032667  0.62032667  1.0
  Al  Al16  1  0.62916325  0.12614243  0.61552907  1.0
  Al  Al17  1  0.38447093  0.37083675  0.37083675  1.0
  Al  Al18  1  0.37967333  0.39010010  0.85055323  1.0
  Al  Al19  1  0.37967333  0.85055323  0.39010010  1.0
  Al  Al20  1  0.87385757  0.37083675  0.37083675  1.0
  Ir  Ir21  1  0.51043439  0.48956561  0.48956561  1.0
  Ir  Ir22  1  0.01108052  0.48891948  0.48891948  1.0
  Ir  Ir23  1  0.51108052  0.98891948  0.98891948  1.0
  Ir  Ir24  1  0.51465752  0.99579205  0.48534248  1.0
  Ir  Ir25  1  0.51465752  0.48534248  0.99579205  1.0
  Ir  Ir26  1  0.00420795  0.48534248  0.99579205  1.0
  Ir  Ir27  1  0.00420795  0.99579205  0.48534248  1.0
  Se  Se28  1  0.01838809  0.98161191  0.98161191  1.0