# generated using pymatgen
data_Th10Sn6AuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63421905
_cell_length_b   9.63421920
_cell_length_c   6.62893727
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th10Sn6AuI
_chemical_formula_sum   'Th10 Sn6 Au1 I1'
_cell_volume   532.85324313
_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  0.27926949  0.00000000  0.76315350  1.0
  Th  Th1  1  0.72073051  1.00000000  0.23684650  1.0
  Th  Th2  1  0.00000000  0.27926949  0.76315350  1.0
  Th  Th3  1  1.00000000  0.72073051  0.23684650  1.0
  Th  Th4  1  0.72073051  0.72073051  0.76315350  1.0
  Th  Th5  1  0.27926949  0.27926949  0.23684650  1.0
  Th  Th6  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th7  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th8  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th9  1  0.33333300  0.66666700  0.00000000  1.0
  Sn  Sn10  1  0.62063096  1.00000000  0.74706426  1.0
  Sn  Sn11  1  0.37936904  0.00000000  0.25293574  1.0
  Sn  Sn12  1  1.00000000  0.62063096  0.74706426  1.0
  Sn  Sn13  1  0.00000000  0.37936904  0.25293574  1.0
  Sn  Sn14  1  0.37936904  0.37936904  0.74706426  1.0
  Sn  Sn15  1  0.62063096  0.62063096  0.25293574  1.0
  Au  Au16  1  0.00000000  0.00000000  0.00000000  1.0
  I  I17  1  0.00000000  0.00000000  0.50000000  1.0