# generated using pymatgen
data_Th6NiAu6Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15159998
_cell_length_b   8.15159995
_cell_length_c   8.15160041
_cell_angle_alpha   113.77545842
_cell_angle_beta   113.77546329
_cell_angle_gamma   113.77544466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6NiAu6Se
_chemical_formula_sum   'Th6 Ni1 Au6 Se1'
_cell_volume   334.49614863
_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  0.03107251  0.38836171  0.27560244  1.0
  Th  Th1  1  0.38836171  0.27560244  0.03107251  1.0
  Th  Th2  1  0.72439756  0.96892749  0.61163829  1.0
  Th  Th3  1  0.27560244  0.03107251  0.38836171  1.0
  Th  Th4  1  0.61163829  0.72439756  0.96892749  1.0
  Th  Th5  1  0.96892749  0.61163829  0.72439756  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au7  1  0.42866814  0.92975130  0.76547359  1.0
  Au  Au8  1  0.92975130  0.76547359  0.42866814  1.0
  Au  Au9  1  0.23452641  0.57133186  0.07024870  1.0
  Au  Au10  1  0.76547359  0.42866814  0.92975130  1.0
  Au  Au11  1  0.07024870  0.23452641  0.57133186  1.0
  Au  Au12  1  0.57133186  0.07024870  0.23452641  1.0
  Se  Se13  1  0.50000000  0.50000000  0.50000000  1.0