# generated using pymatgen
data_ThAl2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18025559
_cell_length_b   5.18025601
_cell_length_c   4.15389874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.22820374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl2Cu3
_chemical_formula_sum   'Th1 Al2 Cu3'
_cell_volume   98.21302609
_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  0.50000000  0.50000000  0.00000000  1.0
  Al  Al1  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.16196920  0.83803080  0.00000000  1.0
  Cu  Cu4  1  0.83803080  0.16196920  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.50000000  1.0