data_ReAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   4.67
_cell_angle_alpha   108.77
_cell_angle_beta   108.77
_cell_angle_gamma   24.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2Cl
_chemical_formula_sum   'Re1 Ag2 Cl1'
_cell_volume   82.88
_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  0.83  0.0  0.2  1.0
  Ag  Ag0  1  0.92  0.0  0.38  1.0
  Ag  Ag1  1  0.81  0.0  0.18  1.0
  Cl  Cl2  1  0.99  0.0  0.85  1.0

data_ReAg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.67
_cell_length_c   6.77
_cell_angle_alpha   108.77
_cell_angle_beta   102.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2Cl
_chemical_formula_sum   'Re1 Ag2 Cl1'
_cell_volume   82.88
_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  0.2  0.83  1.0
  Ag  Ag1  1  0.0  0.18  0.81  1.0
  Ag  Ag2  1  0.0  0.38  0.92  1.0
  Cl  Cl3  1  0.0  0.85  0.99  1.0

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