# generated using pymatgen
data_CeErS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00814134
_cell_length_b   7.00814167
_cell_length_c   7.00814139
_cell_angle_alpha   32.39657980
_cell_angle_beta   32.39657227
_cell_angle_gamma   32.39657653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeErS2
_chemical_formula_sum   'Ce1 Er1 S2'
_cell_volume   87.84210607
_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
  Ce  Ce0  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er1  1  0.50000000  0.50000000  0.50000000  1.0
  S  S2  1  0.24299035  0.24299035  0.24299035  1.0
  S  S3  1  0.75700965  0.75700965  0.75700965  1.0