# generated using pymatgen
data_Y13Th3(HgIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68181508
_cell_length_b   9.68141993
_cell_length_c   9.68142033
_cell_angle_alpha   59.99999862
_cell_angle_beta   60.00134870
_cell_angle_gamma   60.00135569
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y13Th3(HgIr)4
_chemical_formula_sum   'Y13 Th3 Hg4 Ir4'
_cell_volume   641.69520051
_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  0.94188714  0.35270429  0.35270429  1.0
  Y  Y1  1  0.81042816  0.19076651  0.19076651  1.0
  Y  Y2  1  0.18840934  0.81141078  0.81141078  1.0
  Y  Y3  1  0.18840934  0.81141078  0.18876811  1.0
  Y  Y4  1  0.81042816  0.19076651  0.80803883  1.0
  Y  Y5  1  0.18840934  0.18876811  0.81141078  1.0
  Y  Y6  1  0.81042816  0.80803883  0.19076651  1.0
  Y  Y7  1  0.93763758  0.56233303  0.56233303  1.0
  Y  Y8  1  0.56305893  0.93651202  0.93651202  1.0
  Y  Y9  1  0.56305893  0.93651202  0.56391604  1.0
  Y  Y10  1  0.93763758  0.56233303  0.93769636  1.0
  Y  Y11  1  0.56305893  0.56391604  0.93651202  1.0
  Y  Y12  1  0.93763758  0.93769636  0.56233303  1.0
  Th  Th13  1  0.34919208  0.35108705  0.35108705  1.0
  Th  Th14  1  0.34919208  0.35108705  0.94863483  1.0
  Th  Th15  1  0.34919208  0.94863483  0.35108705  1.0
  Hg  Hg16  1  0.58994665  0.58564872  0.58564872  1.0
  Hg  Hg17  1  0.58994665  0.58564872  0.23875791  1.0
  Hg  Hg18  1  0.58994665  0.23875791  0.58564872  1.0
  Hg  Hg19  1  0.23689365  0.58770212  0.58770212  1.0
  Ir  Ir20  1  0.14513168  0.14194717  0.14194717  1.0
  Ir  Ir21  1  0.14513168  0.14194717  0.57097397  1.0
  Ir  Ir22  1  0.14513168  0.57097397  0.14194717  1.0
  Ir  Ir23  1  0.56980795  0.14339702  0.14339702  1.0