# generated using pymatgen
data_Y3ThAgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65673183
_cell_length_b   9.65673171
_cell_length_c   9.65667424
_cell_angle_alpha   59.99923921
_cell_angle_beta   59.99923963
_cell_angle_gamma   59.99936347
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3ThAgIr
_chemical_formula_sum   'Y12 Th4 Ag4 Ir4'
_cell_volume   636.74543256
_cell_formula_units_Z   4
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  0.06070013  0.43926547  0.43929923  1.0
  Y  Y1  1  0.43932115  0.06072094  0.06070219  1.0
  Y  Y2  1  0.43926547  0.06070013  0.43929923  1.0
  Y  Y3  1  0.06072094  0.43932115  0.06070219  1.0
  Y  Y4  1  0.43928410  0.43928410  0.06068845  1.0
  Y  Y5  1  0.06071344  0.06071344  0.43933633  1.0
  Y  Y6  1  0.18508923  0.81486655  0.81487170  1.0
  Y  Y7  1  0.81489080  0.18513489  0.18509299  1.0
  Y  Y8  1  0.81486655  0.18508923  0.81487170  1.0
  Y  Y9  1  0.18513489  0.81489080  0.18509299  1.0
  Y  Y10  1  0.81487477  0.81487477  0.18506296  1.0
  Y  Y11  1  0.18511968  0.18511968  0.81488801  1.0
  Th  Th12  1  0.60109472  0.60109472  0.60110290  1.0
  Th  Th13  1  0.60109630  0.60109630  0.19672084  1.0
  Th  Th14  1  0.60109461  0.19671675  0.60110261  1.0
  Th  Th15  1  0.19671675  0.60109461  0.60110261  1.0
  Ag  Ag16  1  0.83252702  0.83252702  0.83252497  1.0
  Ag  Ag17  1  0.83250633  0.83250633  0.50247765  1.0
  Ag  Ag18  1  0.83251235  0.50246135  0.83251089  1.0
  Ag  Ag19  1  0.50246135  0.83251235  0.83251089  1.0
  Ir  Ir20  1  0.39343257  0.39343257  0.39343214  1.0
  Ir  Ir21  1  0.39343018  0.39343018  0.81972090  1.0
  Ir  Ir22  1  0.39342950  0.81971419  0.39344133  1.0
  Ir  Ir23  1  0.81971419  0.39342950  0.39344133  1.0