data_Ba2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   35.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AuCl
_chemical_formula_sum   'Ba2 Au1 Cl1'
_cell_volume   141.85
_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  Ba1  1  0.56  0.0  0.08  1.0
  Ba  Ba2  1  0.0  0.0  0.76  1.0
  Au  Au0  1  0.56  0.0  0.5  1.0
  Cl  Cl3  1  0.0  0.0  0.58  1.0

data_Ba2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   5.12
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AuCl
_chemical_formula_sum   'Ba2 Au1 Cl1'
_cell_volume   141.85
_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  0.24  0.0  0.24  1.0
  Ba  Ba1  1  0.92  0.56  0.92  1.0
  Au  Au2  1  0.5  0.56  0.5  1.0
  Cl  Cl3  1  0.42  0.0  0.42  1.0

Ba Ba Au Cl