# generated using pymatgen
data_LiTh2BIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93511766
_cell_length_b   5.93511802
_cell_length_c   5.97217083
_cell_angle_alpha   59.79326268
_cell_angle_beta   59.79326064
_cell_angle_gamma   60.41346324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTh2BIr5
_chemical_formula_sum   'Li1 Th2 B1 Ir5'
_cell_volume   148.74480396
_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
  Li  Li0  1  0.71669109  0.71669109  0.28330891  1.0
  Th  Th1  1  0.75229938  0.75229938  0.74770062  1.0
  Th  Th2  1  0.25229938  0.25229938  0.24770062  1.0
  B  B3  1  0.00855434  0.00855434  0.99144566  1.0
  Ir  Ir4  1  0.25391058  0.74878611  0.25121389  1.0
  Ir  Ir5  1  0.74878611  0.25391058  0.25121389  1.0
  Ir  Ir6  1  0.26476144  0.26476144  0.73523856  1.0
  Ir  Ir7  1  0.74878611  0.25391058  0.74608942  1.0
  Ir  Ir8  1  0.25391058  0.74878611  0.74608942  1.0