data_CdRe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.94
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   92.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRe2Ag
_chemical_formula_sum   'Cd1 Re2 Ag1'
_cell_volume   68.5
_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
  Cd  Cd1  1  0.26  0.97  0.5  1.0
  Re  Re2  1  0.09  0.0  0.25  1.0
  Re  Re3  1  0.28  0.97  0.29  1.0
  Ag  Ag0  1  0.73  0.0  0.05  1.0

data_CdRe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.94
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   92.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRe2Ag
_chemical_formula_sum   'Cd1 Re2 Ag1'
_cell_volume   68.5
_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
  Cd  Cd0  1  0.26  0.97  0.5  1.0
  Re  Re1  1  0.09  0.0  0.25  1.0
  Re  Re2  1  0.28  0.97  0.29  1.0
  Ag  Ag3  1  0.73  0.0  0.05  1.0

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