# generated using pymatgen
data_ThMg(Al2Cu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40530430
_cell_length_b   8.17786961
_cell_length_c   7.95995795
_cell_angle_alpha   80.28555833
_cell_angle_beta   50.77452633
_cell_angle_gamma   48.93991809
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMg(Al2Cu3)2
_chemical_formula_sum   'Th2 Mg2 Al8 Cu12'
_cell_volume   358.64275180
_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  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.25000000  0.25000000  0.25000000  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg3  1  0.75000000  0.75000000  0.75000000  1.0
  Al  Al4  1  0.76286676  0.06722743  0.82303159  1.0
  Al  Al5  1  0.82303159  0.34687523  0.76286676  1.0
  Al  Al6  1  0.06722743  0.76286676  0.34687523  1.0
  Al  Al7  1  0.34687523  0.82303159  0.06722743  1.0
  Al  Al8  1  0.48713324  0.18277257  0.42696841  1.0
  Al  Al9  1  0.42696841  0.90312477  0.48713324  1.0
  Al  Al10  1  0.18277257  0.48713324  0.90312477  1.0
  Al  Al11  1  0.90312477  0.42696841  0.18277257  1.0
  Cu  Cu12  1  0.62500000  0.12500000  0.62500000  1.0
  Cu  Cu13  1  0.62500000  0.62500000  0.62500000  1.0
  Cu  Cu14  1  0.12500000  0.62500000  0.62500000  1.0
  Cu  Cu15  1  0.62500000  0.62500000  0.12500000  1.0
  Cu  Cu16  1  0.48753665  0.43248161  0.18249782  1.0
  Cu  Cu17  1  0.18249782  0.89748391  0.48753665  1.0
  Cu  Cu18  1  0.43248161  0.48753665  0.89748391  1.0
  Cu  Cu19  1  0.89748391  0.18249782  0.43248161  1.0
  Cu  Cu20  1  0.76246335  0.81751839  0.06750218  1.0
  Cu  Cu21  1  0.06750218  0.35251609  0.76246335  1.0
  Cu  Cu22  1  0.81751839  0.76246335  0.35251609  1.0
  Cu  Cu23  1  0.35251609  0.06750218  0.81751839  1.0