# generated using pymatgen
data_Er2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97321134
_cell_length_b   10.07155947
_cell_length_c   17.48119428
_cell_angle_alpha   98.64245576
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2S3
_chemical_formula_sum   'Er12 S18'
_cell_volume   691.59205477
_cell_formula_units_Z   6
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  0.75000000  0.12385431  0.43003078  1.0
  Er  Er1  1  0.25000000  0.87614569  0.56996922  1.0
  Er  Er2  1  0.75000000  0.54889318  0.11457709  1.0
  Er  Er3  1  0.25000000  0.45110682  0.88542291  1.0
  Er  Er4  1  0.75000000  0.18860373  0.02054656  1.0
  Er  Er5  1  0.25000000  0.81139627  0.97945344  1.0
  Er  Er6  1  0.75000000  0.48687371  0.39950780  1.0
  Er  Er7  1  0.25000000  0.51312629  0.60049220  1.0
  Er  Er8  1  0.25000000  0.17029945  0.21835781  1.0
  Er  Er9  1  0.75000000  0.82970055  0.78164219  1.0
  Er  Er10  1  0.25000000  0.81210440  0.27924309  1.0
  Er  Er11  1  0.75000000  0.18789560  0.72075691  1.0
  S  S12  1  0.75000000  0.61569205  0.96755762  1.0
  S  S13  1  0.25000000  0.38430795  0.03244238  1.0
  S  S14  1  0.25000000  0.28967603  0.36820086  1.0
  S  S15  1  0.75000000  0.71032397  0.63179914  1.0
  S  S16  1  0.25000000  0.99288494  0.73210032  1.0
  S  S17  1  0.75000000  0.00711506  0.26789968  1.0
  S  S18  1  0.25000000  0.63261167  0.46891036  1.0
  S  S19  1  0.75000000  0.36738833  0.53108964  1.0
  S  S20  1  0.75000000  0.63781208  0.28278240  1.0
  S  S21  1  0.25000000  0.36218792  0.71721760  1.0
  S  S22  1  0.25000000  0.73096365  0.12724106  1.0
  S  S23  1  0.75000000  0.26903635  0.87275894  1.0
  S  S24  1  0.75000000  0.95127969  0.92405188  1.0
  S  S25  1  0.25000000  0.04872031  0.07594812  1.0
  S  S26  1  0.75000000  0.05232191  0.57537917  1.0
  S  S27  1  0.25000000  0.94767809  0.42462083  1.0
  S  S28  1  0.25000000  0.68110758  0.81840240  1.0
  S  S29  1  0.75000000  0.31889242  0.18159760  1.0