data_GaRe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.91
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Ag
_chemical_formula_sum   'Ga1 Re2 Ag1'
_cell_volume   63.45
_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
  Ga  Ga1  1  0.0  0.0  0.25  1.0
  Re  Re2  1  0.42  0.96  0.14  1.0
  Re  Re3  1  0.0  0.0  0.22  1.0
  Ag  Ag0  1  0.42  0.96  0.95  1.0

data_GaRe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.91
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Ag
_chemical_formula_sum   'Ga1 Re2 Ag1'
_cell_volume   63.45
_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
  Ga  Ga0  1  0.0  0.0  0.25  1.0
  Re  Re1  1  0.0  0.0  0.22  1.0
  Re  Re2  1  0.42  0.96  0.14  1.0
  Ag  Ag3  1  0.42  0.96  0.95  1.0

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