data_HfReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReAg2
_chemical_formula_sum   'Hf1 Re1 Ag2'
_cell_volume   71.7
_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
  Hf  Hf2  1  0.0  0.0  0.5  1.0
  Re  Re3  1  0.65  0.0  0.39  1.0
  Ag  Ag0  1  0.0  0.0  0.05  1.0
  Ag  Ag1  1  0.65  0.0  0.95  1.0

data_HfReAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReAg2
_chemical_formula_sum   'Hf1 Re1 Ag2'
_cell_volume   71.7
_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
  Hf  Hf0  1  0.0  0.0  0.5  1.0
  Re  Re1  1  0.65  0.0  0.39  1.0
  Ag  Ag2  1  0.0  0.0  0.05  1.0
  Ag  Ag3  1  0.65  0.0  0.95  1.0

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