# generated using pymatgen
data_Th2Al9ZnCu12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30889078
_cell_length_b   8.11042574
_cell_length_c   7.88558451
_cell_angle_alpha   80.23791149
_cell_angle_beta   50.83670397
_cell_angle_gamma   48.92537950
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al9ZnCu12
_chemical_formula_sum   'Th2 Al9 Zn1 Cu12'
_cell_volume   349.76159282
_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
  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  0.75000000  0.75000000  0.75000000  1.0
  Al  Al3  1  0.76224632  0.06661951  0.82370411  1.0
  Al  Al4  1  0.82370411  0.34743006  0.76224632  1.0
  Al  Al5  1  0.06661951  0.76224632  0.34743006  1.0
  Al  Al6  1  0.34743006  0.82370411  0.06661951  1.0
  Al  Al7  1  0.48898037  0.18366000  0.42659002  1.0
  Al  Al8  1  0.42659002  0.90076860  0.48898037  1.0
  Al  Al9  1  0.18366000  0.48898037  0.90076860  1.0
  Al  Al10  1  0.90076860  0.42659002  0.18366000  1.0
  Zn  Zn11  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu12  1  0.62432361  0.12518178  0.62696228  1.0
  Cu  Cu13  1  0.62696228  0.62353233  0.62432361  1.0
  Cu  Cu14  1  0.12518178  0.62432361  0.62353233  1.0
  Cu  Cu15  1  0.62353233  0.62696228  0.12518178  1.0
  Cu  Cu16  1  0.48885424  0.43369088  0.18286365  1.0
  Cu  Cu17  1  0.18286365  0.89459123  0.48885424  1.0
  Cu  Cu18  1  0.43369088  0.48885424  0.89459123  1.0
  Cu  Cu19  1  0.89459123  0.18286365  0.43369088  1.0
  Cu  Cu20  1  0.76166619  0.81585351  0.06593780  1.0
  Cu  Cu21  1  0.06593780  0.35654250  0.76166619  1.0
  Cu  Cu22  1  0.81585351  0.76166619  0.35654250  1.0
  Cu  Cu23  1  0.35654250  0.06593780  0.81585351  1.0