data_[Ba12Ag8Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1539]
_cell_length_b [12.0666]
_cell_length_c [17.1262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Ag2Sn3]
_chemical_formula_sum '[Ba12 Ag8 Sn12]'
_cell_volume [1065.0869]
_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  8  0.0000  0.1098  0.6092  1.0
  Ba  Ba1  4  0.0000  0.3938  0.7500  1.0
  Ag  Ag2  8  0.0000  0.1893  0.1002  1.0
  Sn  Sn3  8  0.0000  0.3889  0.5360  1.0
  Sn  Sn4  4  0.0000  0.3072  0.2500  1.0
]