data_[Ce2Er2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8171]
_cell_length_b [3.9312]
_cell_length_c [7.8420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeErS3]
_chemical_formula_sum '[Ce2 Er2 S6]'
_cell_volume [240.1813]
_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  2  0.3787  0.2500  0.2306  1.0
  Er  Er1  2  0.1466  0.7500  0.6732  1.0
  S  S2  2  0.0965  0.7500  0.3214  1.0
  S  S3  2  0.3164  0.7500  0.9750  1.0
  S  S4  2  0.3743  0.2500  0.6146  1.0
]