data_[Ba1Ag2Pd1Cl8]
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
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0809]
_cell_length_b [6.5687]
_cell_length_c [8.6514]
_cell_angle_alpha [76.5378]
_cell_angle_beta [84.3857]
_cell_angle_gamma [84.4287]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAg2PdCl8]
_chemical_formula_sum '[Ba1 Ag2 Pd1 Cl8]'
_cell_volume [333.4733]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.4418  0.4597  0.7434  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1424  0.7572  0.2232  1.0
  Cl  Cl4  2  0.2100  0.7972  0.8242  1.0
  Cl  Cl5  2  0.2926  0.2170  0.9901  1.0
  Cl  Cl6  2  0.3974  0.2726  0.4824  1.0
]