# generated using pymatgen
data_YTh3(B4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09211037
_cell_length_b   7.09211007
_cell_length_c   7.09210993
_cell_angle_alpha   111.71769947
_cell_angle_beta   111.71770630
_cell_angle_gamma   105.06605357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh3(B4Ir)4
_chemical_formula_sum   'Y1 Th3 B16 Ir4'
_cell_volume   273.39736810
_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  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.78406446  0.78406446  1.00000000  1.0
  Th  Th2  1  0.21593554  0.21593554  0.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  B  B4  1  0.26526765  0.10791888  0.37219697  1.0
  B  B5  1  0.73572191  0.89306968  0.62780303  1.0
  B  B6  1  0.26526765  0.89306968  0.15734776  1.0
  B  B7  1  0.73572191  0.10791888  0.84265224  1.0
  B  B8  1  0.10693032  0.73473235  0.84265224  1.0
  B  B9  1  0.89208112  0.26427809  0.15734776  1.0
  B  B10  1  0.10693032  0.26427809  0.37219697  1.0
  B  B11  1  0.89208112  0.73473235  0.62780303  1.0
  B  B12  1  0.11357288  0.11194781  0.52735766  1.0
  B  B13  1  0.58459014  0.58621521  0.47264234  1.0
  B  B14  1  0.11357288  0.58621521  0.00162407  1.0
  B  B15  1  0.58459014  0.11194781  0.99837593  1.0
  B  B16  1  0.88805219  0.88642712  0.47264234  1.0
  B  B17  1  0.41378479  0.41540986  0.52735766  1.0
  B  B18  1  0.88805219  0.41540986  0.00162407  1.0
  B  B19  1  0.41378479  0.88642712  0.99837593  1.0
  Ir  Ir20  1  0.26098458  0.50147420  0.75951038  1.0
  Ir  Ir21  1  0.74196382  0.50147420  0.24048962  1.0
  Ir  Ir22  1  0.49852580  0.73901542  0.24048962  1.0
  Ir  Ir23  1  0.49852580  0.25803618  0.75951038  1.0