# generated using pymatgen
data_Er3ThS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90165331
_cell_length_b   10.96279618
_cell_length_c   11.25300984
_cell_angle_alpha   71.72031555
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3ThS6
_chemical_formula_sum   'Er6 Th2 S12'
_cell_volume   457.03608735
_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
  Er  Er0  1  0.25000000  0.33821035  0.58321385  1.0
  Er  Er1  1  0.75000000  0.66178965  0.41678615  1.0
  Er  Er2  1  0.25000000  0.82174390  0.00071961  1.0
  Er  Er3  1  0.75000000  0.17825610  0.99928039  1.0
  Er  Er4  1  0.25000000  0.06410524  0.33410124  1.0
  Er  Er5  1  0.75000000  0.93589476  0.66589876  1.0
  Th  Th6  1  0.25000000  0.45098298  0.19693509  1.0
  Th  Th7  1  0.75000000  0.54901702  0.80306491  1.0
  S  S8  1  0.25000000  0.69370175  0.24862926  1.0
  S  S9  1  0.75000000  0.30629825  0.75137074  1.0
  S  S10  1  0.25000000  0.58190595  0.59306222  1.0
  S  S11  1  0.75000000  0.41809405  0.40693778  1.0
  S  S12  1  0.25000000  0.38119685  0.96630319  1.0
  S  S13  1  0.75000000  0.61880315  0.03369681  1.0
  S  S14  1  0.25000000  0.02075076  0.11439245  1.0
  S  S15  1  0.75000000  0.97924924  0.88560755  1.0
  S  S16  1  0.75000000  0.89458673  0.43960712  1.0
  S  S17  1  0.25000000  0.10541327  0.56039288  1.0
  S  S18  1  0.75000000  0.23744871  0.22819124  1.0
  S  S19  1  0.25000000  0.76255129  0.77180876  1.0