data_HfAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg3
_chemical_formula_sum   'Hf1 Ag3'
_cell_volume   75.54
_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  Hf3  1  0.14  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.57  0.96  0.47  1.0
  Ag  Ag2  1  0.57  0.04  0.47  1.0

data_HfAg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   104.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg3
_chemical_formula_sum   'Hf1 Ag3'
_cell_volume   75.54
_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  0.14  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.47  0.57  0.04  1.0
  Ag  Ag3  1  0.47  0.57  0.96  1.0

Hf Ag Ag Ag
Hf Ag Ag Ag 0 1 o o o 2 3 o + o 