# generated using pymatgen
data_Y13Th3(AlIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64515885
_cell_length_b   9.67079216
_cell_length_c   9.67079250
_cell_angle_alpha   59.99984612
_cell_angle_beta   59.91158626
_cell_angle_gamma   59.91158683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y13Th3(AlIr)4
_chemical_formula_sum   'Y13 Th3 Al4 Ir4'
_cell_volume   636.99544347
_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
  Y  Y0  1  0.19197447  0.60268447  0.60268447  1.0
  Y  Y1  1  0.05890585  0.44253477  0.44253477  1.0
  Y  Y2  1  0.44279746  0.05819249  0.05819249  1.0
  Y  Y3  1  0.44280889  0.05816914  0.44082086  1.0
  Y  Y4  1  0.05893176  0.44252583  0.05601217  1.0
  Y  Y5  1  0.44280889  0.44082086  0.05816914  1.0
  Y  Y6  1  0.05893176  0.05601217  0.44252583  1.0
  Y  Y7  1  0.18784991  0.81204868  0.81204868  1.0
  Y  Y8  1  0.81193097  0.18787659  0.18787659  1.0
  Y  Y9  1  0.81190985  0.18788521  0.81231604  1.0
  Y  Y10  1  0.18783713  0.81207221  0.18803562  1.0
  Y  Y11  1  0.81190985  0.81231604  0.18788521  1.0
  Y  Y12  1  0.18783713  0.18803562  0.81207221  1.0
  Th  Th13  1  0.59793007  0.60039899  0.60039899  1.0
  Th  Th14  1  0.59794423  0.60040457  0.20126893  1.0
  Th  Th15  1  0.59794423  0.20126893  0.60040457  1.0
  Al  Al16  1  0.82976107  0.82885924  0.82885924  1.0
  Al  Al17  1  0.82975966  0.82886038  0.51251931  1.0
  Al  Al18  1  0.82975966  0.51251931  0.82886038  1.0
  Al  Al19  1  0.51456246  0.82847657  0.82847657  1.0
  Ir  Ir20  1  0.39496621  0.39120567  0.39120567  1.0
  Ir  Ir21  1  0.39496094  0.39121602  0.82262502  1.0
  Ir  Ir22  1  0.39496094  0.82262502  0.39121602  1.0
  Ir  Ir23  1  0.82101464  0.39299921  0.39299921  1.0