# generated using pymatgen
data_LiTh4Ir13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33285778
_cell_length_b   5.33285835
_cell_length_c   13.50544373
_cell_angle_alpha   78.61306915
_cell_angle_beta   78.61306944
_cell_angle_gamma   59.99999392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTh4Ir13
_chemical_formula_sum   'Li1 Th4 Ir13'
_cell_volume   323.86928782
_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  0.38979835  0.38979835  0.83060396  1.0
  Th  Th1  1  0.94816527  0.94816527  0.15550419  1.0
  Th  Th2  1  0.04711668  0.04711668  0.85864995  1.0
  Th  Th3  1  0.85161551  0.85161551  0.44515446  1.0
  Th  Th4  1  0.14602506  0.14602506  0.56192481  1.0
  Ir  Ir5  1  0.38968060  0.38968060  0.32807132  1.0
  Ir  Ir6  1  0.89256848  0.38968060  0.32807132  1.0
  Ir  Ir7  1  0.38968060  0.89256848  0.32807132  1.0
  Ir  Ir8  1  0.60940670  0.60940670  0.67035317  1.0
  Ir  Ir9  1  0.11083244  0.60940670  0.67035317  1.0
  Ir  Ir10  1  0.60940670  0.11083244  0.67035317  1.0
  Ir  Ir11  1  0.00090802  0.50041158  0.99826881  1.0
  Ir  Ir12  1  0.50041158  0.00090802  0.99826881  1.0
  Ir  Ir13  1  0.50041158  0.50041158  0.99826881  1.0
  Ir  Ir14  1  0.72291391  0.72291391  0.83125728  1.0
  Ir  Ir15  1  0.27901348  0.27901348  0.16295955  1.0
  Ir  Ir16  1  0.61206244  0.61206244  0.16381569  1.0
  Ir  Ir17  1  0.49998360  0.49998360  0.50005119  1.0