# generated using pymatgen
data_Th3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28485254
_cell_length_b   8.24252355
_cell_length_c   8.24481303
_cell_angle_alpha   113.81207409
_cell_angle_beta   104.70903174
_cell_angle_gamma   104.72624682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Au4
_chemical_formula_sum   'Th6 Au8'
_cell_volume   345.87417579
_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  0.40414209  0.37612256  0.11996643  1.0
  Th  Th1  1  0.28386352  0.87997097  0.25621699  1.0
  Th  Th2  1  0.97213070  0.25597869  0.37613548  1.0
  Th  Th3  1  0.02787030  0.74402131  0.62386452  1.0
  Th  Th4  1  0.71613648  0.12002903  0.74378401  1.0
  Th  Th5  1  0.59585791  0.62387744  0.88003357  1.0
  Au  Au6  1  -0.00000000  -0.00000000  0.00000000  1.0
  Au  Au7  1  0.50000000  -0.00000000  0.00000000  1.0
  Au  Au8  1  0.92987485  0.49730843  0.16129780  1.0
  Au  Au9  1  0.76812199  0.83827987  0.33611930  1.0
  Au  Au10  1  0.56785065  0.33633767  0.49722530  1.0
  Au  Au11  1  0.43214935  0.66366233  0.50277570  1.0
  Au  Au12  1  0.23187801  0.16172013  0.66388070  1.0
  Au  Au13  1  0.07012515  0.50269157  0.83870320  1.0