# generated using pymatgen
data_Tb13Th3(AlIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64144610
_cell_length_b   9.66024867
_cell_length_c   9.66024796
_cell_angle_alpha   60.00000241
_cell_angle_beta   59.93546994
_cell_angle_gamma   59.93547420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb13Th3(AlIr)4
_chemical_formula_sum   'Tb13 Th3 Al4 Ir4'
_cell_volume   635.59356840
_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
  Tb  Tb0  1  0.19338414  0.60220595  0.60220595  1.0
  Tb  Tb1  1  0.05902673  0.44240190  0.44240190  1.0
  Tb  Tb2  1  0.44224742  0.05849399  0.05849399  1.0
  Tb  Tb3  1  0.44224742  0.05849399  0.44076361  1.0
  Tb  Tb4  1  0.05902673  0.44240190  0.05616947  1.0
  Tb  Tb5  1  0.44224742  0.44076361  0.05849399  1.0
  Tb  Tb6  1  0.05902673  0.05616947  0.44240190  1.0
  Tb  Tb7  1  0.18753161  0.81251327  0.81251327  1.0
  Tb  Tb8  1  0.81270561  0.18712809  0.18712809  1.0
  Tb  Tb9  1  0.81270561  0.18712809  0.81303821  1.0
  Tb  Tb10  1  0.18753161  0.81251327  0.18744285  1.0
  Tb  Tb11  1  0.81270561  0.81303821  0.18712809  1.0
  Tb  Tb12  1  0.18753161  0.18744285  0.81251327  1.0
  Th  Th13  1  0.59856408  0.60053378  0.60053378  1.0
  Th  Th14  1  0.59856408  0.60053378  0.20037136  1.0
  Th  Th15  1  0.59856408  0.20037136  0.60053378  1.0
  Al  Al16  1  0.82863757  0.82812560  0.82812560  1.0
  Al  Al17  1  0.82863757  0.82812560  0.51511223  1.0
  Al  Al18  1  0.82863757  0.51511223  0.82812560  1.0
  Al  Al19  1  0.51598846  0.82800385  0.82800385  1.0
  Ir  Ir20  1  0.39434071  0.39144810  0.39144810  1.0
  Ir  Ir21  1  0.39434071  0.39144810  0.82276409  1.0
  Ir  Ir22  1  0.39434071  0.82276409  0.39144810  1.0
  Ir  Ir23  1  0.82146720  0.39284393  0.39284393  1.0