# generated using pymatgen
data_Th(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75866956
_cell_length_b   6.75866956
_cell_length_c   6.75866956
_cell_angle_alpha   98.22011587
_cell_angle_beta   98.22011587
_cell_angle_gamma   135.56516421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Al2Cu)4
_chemical_formula_sum   'Th1 Al8 Cu4'
_cell_volume   200.09609845
_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
  Al  Al1  1  0.00000000  0.35058894  0.35058894  1.0
  Al  Al2  1  0.00000000  0.64941106  0.64941106  1.0
  Al  Al3  1  0.64941106  0.00000000  0.64941106  1.0
  Al  Al4  1  0.35058894  -0.00000000  0.35058894  1.0
  Al  Al5  1  0.50000000  0.27826750  0.77826750  1.0
  Al  Al6  1  0.50000000  0.72173250  0.22173250  1.0
  Al  Al7  1  0.72173250  0.50000000  0.22173250  1.0
  Al  Al8  1  0.27826750  0.50000000  0.77826750  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu10  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu11  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu12  1  0.00000000  0.50000000  0.00000000  1.0