# generated using pymatgen
data_Th3Al2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77942930
_cell_length_b   8.55634710
_cell_length_c   8.55634710
_cell_angle_alpha   90.00134997
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Al2
_chemical_formula_sum   'Th6 Al4'
_cell_volume   276.69608453
_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  0.00000000  0.00000000  1.0
  Th  Th1  1  0.00000000  0.50000000  0.50000000  1.0
  Th  Th2  1  0.50000000  0.18211733  0.68211733  1.0
  Th  Th3  1  0.50000000  0.31795254  0.18204746  1.0
  Th  Th4  1  0.50000000  0.68204746  0.81795254  1.0
  Th  Th5  1  0.50000000  0.81788267  0.31788267  1.0
  Al  Al6  1  0.00000000  0.38814218  0.88814218  1.0
  Al  Al7  1  0.00000000  0.11187819  0.38812181  1.0
  Al  Al8  1  -0.00000000  0.88812181  0.61187819  1.0
  Al  Al9  1  0.00000000  0.61185782  0.11185782  1.0