data_[Ca4Dy4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9330]
_cell_length_b [12.9637]
_cell_length_c [10.3638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaDyAgS3]
_chemical_formula_sum '[Ca4 Dy4 Ag4 S12]'
_cell_volume [528.4103]
_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
[
  Ca  Ca0  4  0.0000  0.2436  0.7500  1
  Dy  Dy1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.4767  0.2500  1
  S  S3  8  0.0000  0.3575  0.0623  1
  S  S4  4  0.0000  0.0996  0.2500  1
]