# generated using pymatgen
data_ZrSc3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42885465
_cell_length_b   7.42846662
_cell_length_c   9.25020500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.74860389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc3(Al3Ir)6
_chemical_formula_sum   'Zr1 Sc3 Al18 Ir6'
_cell_volume   443.19783655
_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
  Zr  Zr0  1  0.99509906  0.67109540  0.25000000  1.0
  Sc  Sc1  1  0.00506893  0.32640419  0.75000000  1.0
  Sc  Sc2  1  0.67183572  0.99514365  0.25000000  1.0
  Sc  Sc3  1  0.32868853  0.00679643  0.75000000  1.0
  Al  Al4  1  0.12583626  0.12413248  0.25000000  1.0
  Al  Al5  1  0.87323465  0.87359571  0.75000000  1.0
  Al  Al6  1  0.99873010  0.33426218  0.07569276  1.0
  Al  Al7  1  0.00181608  0.66516755  0.92358492  1.0
  Al  Al8  1  0.00181608  0.66516755  0.57641508  1.0
  Al  Al9  1  0.33530136  0.99938824  0.42413108  1.0
  Al  Al10  1  0.99873010  0.33426218  0.42430724  1.0
  Al  Al11  1  0.66492864  0.00127506  0.57578225  1.0
  Al  Al12  1  0.66492864  0.00127506  0.92421775  1.0
  Al  Al13  1  0.33530136  0.99938824  0.07586892  1.0
  Al  Al14  1  0.33201875  0.33219079  0.55792214  1.0
  Al  Al15  1  0.66796050  0.66818240  0.44241130  1.0
  Al  Al16  1  0.66796050  0.66818240  0.05758870  1.0
  Al  Al17  1  0.33201875  0.33219079  0.94207786  1.0
  Al  Al18  1  0.33726136  0.55104072  0.25000000  1.0
  Al  Al19  1  0.66003305  0.44823731  0.75000000  1.0
  Al  Al20  1  0.55279508  0.34135575  0.25000000  1.0
  Al  Al21  1  0.44755244  0.66055933  0.75000000  1.0
  Ir  Ir22  1  0.67294374  0.32830607  0.00059280  1.0
  Ir  Ir23  1  0.32771771  0.67260948  0.00099219  1.0
  Ir  Ir24  1  0.32771771  0.67260948  0.49900781  1.0
  Ir  Ir25  1  0.67294374  0.32830607  0.49940720  1.0
  Ir  Ir26  1  0.99987858  0.99943773  0.00040996  1.0
  Ir  Ir27  1  0.99987858  0.99943773  0.49959004  1.0