data_[B4Au2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3552]
_cell_length_b [9.6567]
_cell_length_c [6.3626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B2AuCl8]
_chemical_formula_sum '[B4 Au2 Cl16]'
_cell_volume [697.6598]
_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
[
  B  B0  4  0.2217  0.0000  0.3120  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1270  0.1555  0.2073  1.0
  Cl  Cl3  4  0.1365  0.5000  0.8091  1.0
  Cl  Cl4  4  0.2233  0.0000  0.5946  1.0
]