data_ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg
_chemical_formula_sum   'Re2 Ag2'
_cell_volume   77.69
_cell_formula_units_Z   2
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  Re2  1  0.0  0.0  0.44  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.15  0.24  0.65  1.0
  Ag  Ag1  1  0.0  0.48  0.22  1.0

data_ReAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg
_chemical_formula_sum   'Re2 Ag2'
_cell_volume   77.69
_cell_formula_units_Z   2
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  0.0  1.0
  Re  Re1  1  0.0  0.0  0.44  1.0
  Ag  Ag2  1  -0.0  0.48  0.22  1.0
  Ag  Ag3  1  0.15  0.24  0.65  1.0

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