# generated using pymatgen
data_LaThAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56973791
_cell_length_b   6.56973798
_cell_length_c   4.63340108
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaThAl6
_chemical_formula_sum   'La1 Th1 Al6'
_cell_volume   173.19152833
_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
  La  La0  1  0.33333300  0.66666700  0.25000000  1.0
  Th  Th1  1  0.66666700  0.33333300  0.75000000  1.0
  Al  Al2  1  0.86220572  0.72441143  0.25000000  1.0
  Al  Al3  1  0.13729869  0.86270131  0.75000000  1.0
  Al  Al4  1  0.72540362  0.86270131  0.75000000  1.0
  Al  Al5  1  0.27558857  0.13779428  0.25000000  1.0
  Al  Al6  1  0.86220572  0.13779428  0.25000000  1.0
  Al  Al7  1  0.13729869  0.27459638  0.75000000  1.0