data_BaHfAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   136.38
_cell_angle_beta   136.38
_cell_angle_gamma   63.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfAg2
_chemical_formula_sum   'Ba1 Hf1 Ag2'
_cell_volume   102.59
_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
  Ba  Ba2  1  0.0  0.0  0.12  1.0
  Hf  Hf3  1  0.0  0.24  0.56  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.24  0.0  0.56  1.0

data_BaHfAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.02
_cell_angle_alpha   111.81
_cell_angle_beta   111.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfAg2
_chemical_formula_sum   'Ba1 Hf1 Ag2'
_cell_volume   102.59
_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
  Ba  Ba0  1  0.12  0.12  0.12  1.0
  Hf  Hf1  1  0.32  0.56  0.32  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.56  0.32  0.32  1.0

Ba Hf Ag Ag