data_HfGaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   143.83
_cell_angle_beta   126.6
_cell_angle_gamma   66.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaAg2
_chemical_formula_sum   'Hf1 Ga1 Ag2'
_cell_volume   74.13
_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  0.0  0.43  0.13  1.0
  Ga  Ga2  1  0.0  0.0  0.43  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0
  Ag  Ag1  1  0.68  0.0  0.44  1.0

data_HfGaAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.86
_cell_length_c   5.41
_cell_angle_alpha   116.7
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaAg2
_chemical_formula_sum   'Hf1 Ga1 Ag2'
_cell_volume   74.13
_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  0.87  0.3  0.3  1.0
  Ga  Ga1  1  0.57  0.57  0.57  1.0
  Ag  Ag2  1  0.24  0.56  0.24  1.0
  Ag  Ag3  1  0.93  0.93  0.93  1.0

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