# generated using pymatgen
data_Ce(ErS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94896112
_cell_length_b   11.00378982
_cell_length_c   11.26220582
_cell_angle_alpha   71.32864878
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(ErS2)3
_chemical_formula_sum   'Ce2 Er6 S12'
_cell_volume   463.62670996
_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
  Ce  Ce0  1  0.75000000  0.55010170  0.80536027  1.0
  Ce  Ce1  1  0.25000000  0.44989830  0.19463973  1.0
  Er  Er2  1  0.75000000  0.17909690  0.99927463  1.0
  Er  Er3  1  0.25000000  0.82090310  0.00072537  1.0
  Er  Er4  1  0.75000000  0.94277450  0.66659247  1.0
  Er  Er5  1  0.25000000  0.05722550  0.33340753  1.0
  Er  Er6  1  0.75000000  0.66099448  0.41259846  1.0
  Er  Er7  1  0.25000000  0.33900552  0.58740154  1.0
  S  S8  1  0.75000000  0.97839796  0.88797590  1.0
  S  S9  1  0.25000000  0.02160204  0.11202410  1.0
  S  S10  1  0.75000000  0.30346325  0.74965899  1.0
  S  S11  1  0.25000000  0.69653675  0.25034101  1.0
  S  S12  1  0.75000000  0.89347503  0.44198871  1.0
  S  S13  1  0.25000000  0.10652497  0.55801129  1.0
  S  S14  1  0.75000000  0.41780313  0.40778846  1.0
  S  S15  1  0.25000000  0.58219687  0.59221154  1.0
  S  S16  1  0.75000000  0.23203949  0.22977382  1.0
  S  S17  1  0.25000000  0.76796051  0.77022618  1.0
  S  S18  1  0.75000000  0.62028739  0.03538596  1.0
  S  S19  1  0.25000000  0.37971261  0.96461404  1.0