data_[Ce2Ag2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0121]
_cell_length_b [8.5145]
_cell_length_c [6.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeAgS3]
_chemical_formula_sum '[Ce2 Ag2 S6]'
_cell_volume [216.5695]
_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  0.2355  0.7500  0.5043  1
  Ag  Ag1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.3031  0.0577  0.6898  1
  S  S3  2  0.1893  0.2500  0.1830  1
]