# generated using pymatgen
data_ThAl3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26687753
_cell_length_b   4.26686488
_cell_length_c   5.99004823
_cell_angle_alpha   69.13527514
_cell_angle_beta   69.13520885
_cell_angle_gamma   90.00000204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl3Cu
_chemical_formula_sum   'Th1 Al3 Cu1'
_cell_volume   94.21168313
_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  0.99394284  0.99394284  0.01211432  1.0
  Al  Al1  1  0.39640303  0.39640303  0.20719494  1.0
  Al  Al2  1  0.74222834  0.24222834  0.51554233  1.0
  Al  Al3  1  0.24219365  0.74219365  0.51561269  1.0
  Cu  Cu4  1  0.62523214  0.62523214  0.74953471  1.0