# generated using pymatgen
data_ThAl5Cu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31343711
_cell_length_b   8.13337382
_cell_length_c   7.87131487
_cell_angle_alpha   80.22331228
_cell_angle_beta   51.00183956
_cell_angle_gamma   48.77484551
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl5Cu6
_chemical_formula_sum   'Th2 Al10 Cu12'
_cell_volume   350.43515718
_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
  Al  Al2  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al3  1  0.75000000  0.75000000  0.75000000  1.0
  Al  Al4  1  0.76028131  0.06827152  0.82550704  1.0
  Al  Al5  1  0.82550704  0.34594013  0.76028131  1.0
  Al  Al6  1  0.06827152  0.76028131  0.34594013  1.0
  Al  Al7  1  0.34594013  0.82550704  0.06827152  1.0
  Al  Al8  1  0.48971869  0.18172848  0.42449296  1.0
  Al  Al9  1  0.42449296  0.90405987  0.48971869  1.0
  Al  Al10  1  0.18172848  0.48971869  0.90405987  1.0
  Al  Al11  1  0.90405987  0.42449296  0.18172848  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  0.48869608  0.43517679  0.18451646  1.0
  Cu  Cu17  1  0.18451646  0.89161068  0.48869608  1.0
  Cu  Cu18  1  0.43517679  0.48869608  0.89161068  1.0
  Cu  Cu19  1  0.89161068  0.18451646  0.43517679  1.0
  Cu  Cu20  1  0.76130392  0.81482321  0.06548354  1.0
  Cu  Cu21  1  0.06548354  0.35838932  0.76130392  1.0
  Cu  Cu22  1  0.81482321  0.76130392  0.35838932  1.0
  Cu  Cu23  1  0.35838932  0.06548354  0.81482321  1.0