# generated using pymatgen
data_Sc4Si6NiIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91867671
_cell_length_b   6.91867579
_cell_length_c   6.91867670
_cell_angle_alpha   109.29602890
_cell_angle_beta   109.29602295
_cell_angle_gamma   109.82216999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Si6NiIr6
_chemical_formula_sum   'Sc4 Si6 Ni1 Ir6'
_cell_volume   254.93824594
_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  0.00128969  0.99871031  0.50000000  1.0
  Sc  Sc1  1  0.00128969  0.50128969  0.00257839  1.0
  Sc  Sc2  1  0.49871031  0.99871031  0.99742161  1.0
  Sc  Sc3  1  0.49871031  0.50128969  0.50000000  1.0
  Si  Si4  1  0.68261326  0.68261326  0.00000000  1.0
  Si  Si5  1  0.32387667  0.00344879  0.32042788  1.0
  Si  Si6  1  0.99655121  0.31697909  0.32042788  1.0
  Si  Si7  1  0.31738674  0.31738674  1.00000000  1.0
  Si  Si8  1  0.68302091  0.00344879  0.67957212  1.0
  Si  Si9  1  0.99655121  0.67612333  0.67957212  1.0
  Ni  Ni10  1  0.75000000  0.25000000  0.50000000  1.0
  Ir  Ir11  1  0.74636841  0.49430134  0.25206706  1.0
  Ir  Ir12  1  0.50569866  0.25363159  0.74793294  1.0
  Ir  Ir13  1  0.24223428  0.49430134  0.74793294  1.0
  Ir  Ir14  1  0.25000000  0.75000000  0.50000000  1.0
  Ir  Ir15  1  0.50569866  0.75776572  0.25206706  1.0
  Ir  Ir16  1  0.00000000  0.00000000  0.00000000  1.0