# generated using pymatgen
data_Th(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94575907
_cell_length_b   7.74690738
_cell_length_c   7.74690738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(BIr)4
_chemical_formula_sum   'Th2 B8 Ir8'
_cell_volume   236.80304951
_cell_formula_units_Z   2
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
  Th  Th0  1  0.25000000  0.25000000  0.25000000  1.0
  Th  Th1  1  0.75000000  0.75000000  0.75000000  1.0
  B  B2  1  0.35761700  0.90898811  0.02995760  1.0
  B  B3  1  0.35761700  0.59101189  0.47004240  1.0
  B  B4  1  0.85761700  0.52995760  0.09101189  1.0
  B  B5  1  0.85761700  0.97004240  0.40898811  1.0
  B  B6  1  0.64238300  0.09101189  0.97004240  1.0
  B  B7  1  0.64238300  0.40898811  0.52995760  1.0
  B  B8  1  0.14238300  0.47004240  0.90898811  1.0
  B  B9  1  0.14238300  0.02995760  0.59101189  1.0
  Ir  Ir10  1  0.13986716  0.41567403  0.64370987  1.0
  Ir  Ir11  1  0.13986716  0.08432597  0.85629013  1.0
  Ir  Ir12  1  0.63986716  0.14370987  0.58432597  1.0
  Ir  Ir13  1  0.63986716  0.35629013  0.91567403  1.0
  Ir  Ir14  1  0.86013284  0.58432597  0.35629013  1.0
  Ir  Ir15  1  0.86013284  0.91567403  0.14370987  1.0
  Ir  Ir16  1  0.36013284  0.85629013  0.41567403  1.0
  Ir  Ir17  1  0.36013284  0.64370987  0.08432597  1.0