data_[Ba2Sn2Pd4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.5411]
_cell_length_b [5.3339]
_cell_length_c [8.0727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaSn(PdS2)2]
_chemical_formula_sum '[Ba2 Sn2 Pd4 S8]'
_cell_volume [377.8106]
_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
[
  Ba  Ba0  2  0.0000  0.8642  0.5000  1.0
  Sn  Sn1  2  0.0000  0.4541  0.0000  1.0
  Pd  Pd2  4  0.1502  0.0209  0.0607  1.0
  S  S3  4  0.1200  0.3391  0.8243  1.0
  S  S4  4  0.1818  0.7308  0.3084  1.0
]