data_BAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   140.97
_cell_angle_beta   99.46
_cell_angle_gamma   93.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAuCl2
_chemical_formula_sum   'B1 Au1 Cl2'
_cell_volume   98.96
_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
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.56  0.0  1.0
  Cl  Cl2  1  0.84  0.72  0.0  1.0
  Cl  Cl3  1  0.0  0.84  0.78  1.0

data_BAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   80.54
_cell_angle_beta   70.48
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAuCl2
_chemical_formula_sum   'B1 Au1 Cl2'
_cell_volume   98.96
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  -0.0  0.0  0.56  1.0
  Cl  Cl2  1  0.16  0.84  0.72  1.0
  Cl  Cl3  1  0.78  0.0  0.06  1.0

B Au Cl Cl