data_Hf2ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.66
_cell_angle_alpha   99.65
_cell_angle_beta   99.65
_cell_angle_gamma   38.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReAg
_chemical_formula_sum   'Hf2 Re1 Ag1'
_cell_volume   77.8
_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  Hf1  1  0.44  0.0  0.07  1.0
  Hf  Hf2  1  0.49  0.0  0.49  1.0
  Re  Re3  1  0.97  0.0  0.78  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Hf2ReAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.73
_cell_length_c   5.66
_cell_angle_alpha   99.65
_cell_angle_beta   90.0
_cell_angle_gamma   109.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReAg
_chemical_formula_sum   'Hf2 Re1 Ag1'
_cell_volume   77.8
_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  0.51  0.51  1.0
  Hf  Hf1  1  0.0  0.56  0.93  1.0
  Re  Re2  1  0.0  0.03  0.22  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Hf Hf Re Ag