data_ZnRe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.93
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Ag
_chemical_formula_sum   'Zn1 Re2 Ag1'
_cell_volume   62.87
_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
  Zn  Zn3  1  0.68  0.0  0.89  1.0
  Re  Re1  1  0.08  0.0  0.22  1.0
  Re  Re2  1  0.29  0.96  0.29  1.0
  Ag  Ag0  1  0.24  0.96  0.16  1.0

data_ZnRe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.93
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Ag
_chemical_formula_sum   'Zn1 Re2 Ag1'
_cell_volume   62.87
_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
  Zn  Zn0  1  0.68  0.0  0.89  1.0
  Re  Re1  1  0.08  0.0  0.22  1.0
  Re  Re2  1  0.29  0.96  0.29  1.0
  Ag  Ag3  1  0.24  0.96  0.16  1.0

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