# generated using pymatgen
data_ThUAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36745630
_cell_length_b   6.36745630
_cell_length_c   4.60167800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThUAl6
_chemical_formula_sum   'Th1 U1 Al6'
_cell_volume   161.57672087
_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  0.66666700  0.33333300  0.00000000  1.0
  U  U1  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al2  1  0.18437900  0.81562100  0.00000000  1.0
  Al  Al3  1  0.18437900  0.36875900  0.00000000  1.0
  Al  Al4  1  0.63124100  0.81562100  0.00000000  1.0
  Al  Al5  1  0.47754300  0.52245700  0.50000000  1.0
  Al  Al6  1  0.47754300  0.95508500  0.50000000  1.0
  Al  Al7  1  0.04491500  0.52245700  0.50000000  1.0