# generated using pymatgen
data_Th(AlCu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23307884
_cell_length_b   4.23307884
_cell_length_c   10.01015608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(AlCu)2
_chemical_formula_sum   'Th2 Al4 Cu4'
_cell_volume   179.37155084
_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  0.50000000  0.24280723  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75719277  1.0
  Al  Al2  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al4  1  0.00000000  0.50000000  0.87494062  1.0
  Al  Al5  1  0.50000000  0.00000000  0.12505938  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu8  1  0.00000000  0.50000000  0.63125323  1.0
  Cu  Cu9  1  0.50000000  0.00000000  0.36874677  1.0