data_SrReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   148.48
_cell_angle_beta   148.48
_cell_angle_gamma   45.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrReAg
_chemical_formula_sum   'Sr1 Re1 Ag1'
_cell_volume   69.11
_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
  Sr  Sr2  1  0.0  0.0  0.83  1.0
  Re  Re1  1  0.0  0.0  0.24  1.0
  Ag  Ag0  1  0.0  0.0  0.31  1.0

data_SrReAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   112.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrReAg
_chemical_formula_sum   'Sr2 Re2 Ag2'
_cell_volume   138.22
_cell_formula_units_Z   2
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
  Sr  Sr0  2  0.33  0.5  0.83  1.0
  Re  Re1  2  0.24  0.0  0.24  1.0
  Ag  Ag2  2  0.31  0.0  0.31  1.0

Sr Re Ag
Sr Re Ag 0 0 + o + 0 0 o + + 0 2 o o o 0 2 o o + 0 1 o o + 1 2 o o o 