# generated using pymatgen
data_ScTa5Al16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56568128
_cell_length_b   8.54882580
_cell_length_c   8.54878431
_cell_angle_alpha   60.12591163
_cell_angle_beta   59.93536189
_cell_angle_gamma   59.93633892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa5Al16Ir7
_chemical_formula_sum   'Sc1 Ta5 Al16 Ir7'
_cell_volume   442.63598051
_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  0.30982099  0.69017336  0.69017417  1.0
  Ta  Ta1  1  0.67806380  0.67406335  0.32193763  1.0
  Ta  Ta2  1  0.32593379  0.67406528  0.32194192  1.0
  Ta  Ta3  1  0.67332717  0.32667600  0.32667926  1.0
  Ta  Ta4  1  0.32593882  0.32193760  0.67406290  1.0
  Ta  Ta5  1  0.67806439  0.32193482  0.67406036  1.0
  Al  Al6  1  0.88066534  0.88029920  0.35837428  1.0
  Al  Al7  1  0.88066340  0.35837912  0.88029582  1.0
  Al  Al8  1  0.35989880  0.88136987  0.88136148  1.0
  Al  Al9  1  0.87737000  0.88136853  0.88136623  1.0
  Al  Al10  1  0.11862701  0.12263264  0.64010927  1.0
  Al  Al11  1  0.11862986  0.64010705  0.12263190  1.0
  Al  Al12  1  0.64161440  0.11934126  0.11933973  1.0
  Al  Al13  1  0.11970186  0.11933637  0.11934005  1.0
  Al  Al14  1  0.66423429  0.66375590  0.00777815  1.0
  Al  Al15  1  0.66423199  0.00777073  0.66376369  1.0
  Al  Al16  1  0.01419273  0.66162243  0.66162389  1.0
  Al  Al17  1  0.66256189  0.66162325  0.66162452  1.0
  Al  Al18  1  0.33837096  0.33744332  0.98580576  1.0
  Al  Al19  1  0.33837780  0.98580019  0.33744406  1.0
  Al  Al20  1  0.99223148  0.33576613  0.33576169  1.0
  Al  Al21  1  0.33624701  0.33576658  0.33575755  1.0
  Ir  Ir22  1  0.00081267  0.99918481  0.99918918  1.0
  Ir  Ir23  1  0.99729172  0.00271031  0.49814239  1.0
  Ir  Ir24  1  0.50185542  0.00271187  0.49814401  1.0
  Ir  Ir25  1  0.00106653  0.49893497  0.49893429  1.0
  Ir  Ir26  1  0.50185517  0.49814451  0.00270464  1.0
  Ir  Ir27  1  0.99728963  0.49814670  0.00270599  1.0
  Ir  Ir28  1  0.50106111  0.99893383  0.99894419  1.0