data_[Sr4Ce4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Cmcm]
_cell_length_a [4.1365]
_cell_length_b [13.4288]
_cell_length_c [10.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrCeAgS3]
_chemical_formula_sum '[Sr4 Ce4 Ag4 S12]'
_cell_volume [598.4304]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.2523  0.7500  1
  Ce  Ce1  4  0.0000  0.5000  0.0000  1
  Ag  Ag2  4  0.0000  0.0242  0.2500  1
  S  S3  8  0.0000  0.1425  0.0678  1
  S  S4  4  0.0000  0.4091  0.2500  1
]