# generated using pymatgen
data_ThAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53795164
_cell_length_b   6.53801395
_cell_length_c   4.57792958
_cell_angle_alpha   90.00027896
_cell_angle_beta   90.00013699
_cell_angle_gamma   120.00030493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl3
_chemical_formula_sum   'Th2 Al6'
_cell_volume   169.46731615
_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  0.33334396  0.66667164  0.24999809  1.0
  Th  Th1  1  0.66665511  0.33332944  0.75000234  1.0
  Al  Al2  1  0.86076782  0.72152219  0.24999868  1.0
  Al  Al3  1  0.13922846  0.86074953  0.74999847  1.0
  Al  Al4  1  0.72153117  0.86077377  0.74999775  1.0
  Al  Al5  1  0.27846785  0.13923239  0.25000528  1.0
  Al  Al6  1  0.86076934  0.13924500  0.24999822  1.0
  Al  Al7  1  0.13923428  0.27847804  0.75000118  1.0