data_[Ba16Gd8Cd12S40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Gd  1.2000  1.8000  1.0750
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2072]
_cell_length_b [18.1996]
_cell_length_c [27.0299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba4Gd2Cd3S10]
_chemical_formula_sum '[Ba16 Gd8 Cd12 S40]'
_cell_volume [2069.6560]
_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
[
  Ba  Ba0  4  0.0000  0.1604  0.3909  1
  Ba  Ba1  4  0.0000  0.1621  0.1106  1
  Ba  Ba2  4  0.0000  0.4032  0.3385  1
  Ba  Ba3  4  0.0000  0.4241  0.1566  1
  Gd  Gd4  4  0.0000  0.0794  0.2537  1
  Gd  Gd5  4  0.0000  0.4963  0.5000  1
  Cd  Cd6  4  0.0000  0.1556  0.5440  1
  Cd  Cd7  4  0.0000  0.1615  0.9616  1
  Cd  Cd8  4  0.0000  0.2188  0.7314  1
  S  S9  4  0.0000  0.0117  0.5708  1
  S  S10  4  0.0000  0.0173  0.9334  1
  S  S11  4  0.0000  0.0738  0.7469  1
  S  S12  4  0.0000  0.2080  0.6314  1
  S  S13  4  0.0000  0.2128  0.8776  1
  S  S14  4  0.0000  0.2320  0.2676  1
  S  S15  4  0.0000  0.3442  0.5182  1
  S  S16  4  0.0000  0.3490  0.9896  1
  S  S17  4  0.0000  0.4095  0.6844  1
  S  S18  4  0.0000  0.4242  0.8210  1
]