data_[Bi2Pd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [4.0668]
_cell_length_b [9.6747]
_cell_length_c [18.7358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [92.4816]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Bi2PdCl6]
_chemical_formula_sum '[Bi2 Pd1 Cl6]'
_cell_volume [736.4741]
_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
[
  Bi  Bi0  2  0.2167  0.7220  0.4985  1
  Pd  Pd1  1  0.5000  0.0000  0.5000  1
  Cl  Cl2  2  0.1779  0.1109  0.5844  1
  Cl  Cl3  2  0.2127  0.2547  0.4003  1
  Cl  Cl4  2  0.2486  0.4500  0.5719  1
]