data_Re2AgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AgOs
_chemical_formula_sum   'Re2 Ag1 Os1'
_cell_volume   63.03
_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  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.43  0.0  0.35  1.0
  Ag  Ag0  1  0.0  0.0  0.79  1.0
  Os  Os1  1  0.43  0.0  0.25  1.0

data_Re2AgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AgOs
_chemical_formula_sum   'Re2 Ag1 Os1'
_cell_volume   63.03
_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  0.0  0.0  1.0
  Re  Re1  1  0.43  0.0  0.35  1.0
  Ag  Ag2  1  0.0  0.0  0.79  1.0
  Os  Os3  1  0.43  0.0  0.25  1.0

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