data_ReAgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.52
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   93.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgCl2
_chemical_formula_sum   'Re1 Ag1 Cl2'
_cell_volume   78.32
_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  0.37  0.26  0.56  1.0
  Ag  Ag0  1  0.88  0.0  0.46  1.0
  Cl  Cl1  1  0.38  0.26  0.22  1.0
  Cl  Cl2  1  0.34  0.0  0.89  1.0

data_ReAgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.52
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   93.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgCl2
_chemical_formula_sum   'Re1 Ag1 Cl2'
_cell_volume   78.32
_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  0.37  0.26  0.56  1.0
  Ag  Ag1  1  0.88  0.0  0.46  1.0
  Cl  Cl2  1  0.34  0.0  0.89  1.0
  Cl  Cl3  1  0.38  0.26  0.22  1.0

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