# generated using pymatgen
data_Sc4Si6Ni2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86003066
_cell_length_b   6.89261619
_cell_length_c   6.89261571
_cell_angle_alpha   109.43530104
_cell_angle_beta   109.58553047
_cell_angle_gamma   109.58552619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Si6Ni2Ir5
_chemical_formula_sum   'Sc4 Si6 Ni2 Ir5'
_cell_volume   250.28479153
_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  0.00362996  0.00181448  0.50181448  1.0
  Sc  Sc1  1  0.00362996  0.50181448  0.00181448  1.0
  Sc  Sc2  1  0.49250351  0.99704085  0.99704085  1.0
  Sc  Sc3  1  0.49250351  0.49546266  0.49546266  1.0
  Si  Si4  1  0.68410134  0.68348978  0.00061156  1.0
  Si  Si5  1  0.32527490  0.00314380  0.32213111  1.0
  Si  Si6  1  0.98997851  0.31856060  0.31856060  1.0
  Si  Si7  1  0.32527490  0.32213111  0.00314380  1.0
  Si  Si8  1  0.68410134  0.00061156  0.68348978  1.0
  Si  Si9  1  0.98997851  0.67141792  0.67141792  1.0
  Ni  Ni10  1  0.74731087  0.25150897  0.49580190  1.0
  Ni  Ni11  1  0.74731087  0.49580190  0.25150897  1.0
  Ir  Ir12  1  0.51314653  0.25657327  0.75657327  1.0
  Ir  Ir13  1  0.24290565  0.49530592  0.74759873  1.0
  Ir  Ir14  1  0.24290565  0.74759873  0.49530592  1.0
  Ir  Ir15  1  0.51314653  0.75657327  0.25657327  1.0
  Ir  Ir16  1  0.00229646  0.00114773  0.00114773  1.0