# generated using pymatgen
data_Dy3ThSiI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23783984
_cell_length_b   14.16462428
_cell_length_c   14.79227642
_cell_angle_alpha   88.91265184
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3ThSiI6
_chemical_formula_sum   'Dy6 Th2 Si2 I12'
_cell_volume   887.78213371
_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
  Dy  Dy0  1  0.50000000  0.11650495  0.35119310  1.0
  Dy  Dy1  1  0.50000000  0.88349505  0.64880690  1.0
  Dy  Dy2  1  0.50000000  0.61376782  0.14732605  1.0
  Dy  Dy3  1  0.50000000  0.38623218  0.85267395  1.0
  Dy  Dy4  1  0.00000000  0.60735357  0.92319375  1.0
  Dy  Dy5  1  0.00000000  0.39264643  0.07680625  1.0
  Th  Th6  1  0.00000000  0.10743783  0.57638529  1.0
  Th  Th7  1  0.00000000  0.89256217  0.42361471  1.0
  Si  Si8  1  0.50000000  0.00000000  0.50000000  1.0
  Si  Si9  1  0.50000000  0.50000000  0.00000000  1.0
  I  I10  1  0.50000000  0.25513240  0.16953239  1.0
  I  I11  1  0.50000000  0.74486760  0.83046761  1.0
  I  I12  1  0.50000000  0.74579378  0.32849776  1.0
  I  I13  1  0.50000000  0.25420622  0.67150224  1.0
  I  I14  1  0.00000000  0.26068853  0.41298827  1.0
  I  I15  1  0.00000000  0.73931147  0.58701173  1.0
  I  I16  1  0.00000000  0.75580592  0.07817099  1.0
  I  I17  1  0.00000000  0.24419408  0.92182901  1.0
  I  I18  1  0.00000000  0.01297624  0.23638756  1.0
  I  I19  1  0.00000000  0.98702376  0.76361244  1.0
  I  I20  1  0.00000000  0.50334049  0.25838202  1.0
  I  I21  1  0.00000000  0.49665951  0.74161798  1.0