data_Re3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   152.56
_cell_angle_beta   152.56
_cell_angle_gamma   39.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Ag
_chemical_formula_sum   'Re6 Ag2'
_cell_volume   123.0
_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  0.98  0.0  1.0
  Re  Re3  1  0.0  0.0  0.1  1.0
  Re  Re4  1  0.0  0.0  0.61  1.0
  Re  Re5  1  0.0  0.98  0.93  1.0
  Re  Re6  1  0.98  0.0  0.93  1.0
  Re  Re7  1  0.98  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.93  1.0
  Ag  Ag1  1  0.0  0.0  0.78  1.0

data_Re3Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   109.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re3Ag
_chemical_formula_sum   'Re12 Ag4'
_cell_volume   245.99
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.01  0.99  0.02  1.0
  Re  Re1  4  0.44  0.49  0.95  1.0
  Re  Re2  2  0.1  0.0  0.1  1.0
  Re  Re3  2  0.11  0.5  0.61  1.0
  Ag  Ag4  2  0.28  0.5  0.78  1.0
  Ag  Ag5  2  0.43  0.5  0.93  1.0

Re Re Re Re Re Re Ag Ag
Re Re Re Re Re Re Ag Ag 0 5 - + o 0 1 o + o 1 5 - o o 2 7 o o o 3 4 - + o 3 6 o + o 3 7 o + o 4 6 + o o 4 7 + o o 6 7 o o o 