data_ReSi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   135.73
_cell_angle_beta   135.73
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Ag
_chemical_formula_sum   'Re1 Si2 Ag1'
_cell_volume   58.63
_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  Re1  1  0.0  0.87  0.1  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.87  0.0  0.1  1.0
  Ag  Ag0  1  0.0  0.0  0.2  1.0

data_ReSi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   4.96
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Ag
_chemical_formula_sum   'Re1 Si2 Ag1'
_cell_volume   58.63
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.77  0.87  0.77  1.0
  Si  Si2  1  0.9  0.0  0.77  1.0
  Ag  Ag3  1  0.8  0.0  0.8  1.0

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