data_ReAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAuCl2
_chemical_formula_sum   'Re1 Au1 Cl2'
_cell_volume   77.68
_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
  Re  Re3  1  0.0  0.0  0.79  1.0
  Au  Au0  1  0.48  0.0  0.5  1.0
  Cl  Cl1  1  0.0  0.0  0.35  1.0
  Cl  Cl2  1  0.48  0.0  0.67  1.0

data_ReAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.12
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAuCl2
_chemical_formula_sum   'Re1 Au1 Cl2'
_cell_volume   77.68
_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
  Re  Re0  1  0.0  0.0  0.79  1.0
  Au  Au1  1  0.0  0.48  0.5  1.0
  Cl  Cl2  1  0.0  0.0  0.35  1.0
  Cl  Cl3  1  0.0  0.48  0.67  1.0

Re Au Cl Cl
Re Au Cl Cl 0 3 - o o 0 3 o o o 1 3 o o o 1 2 + o o 1 2 o o o 