data_HfBeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   122.16
_cell_angle_beta   122.16
_cell_angle_gamma   86.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeAg2
_chemical_formula_sum   'Hf1 Be1 Ag2'
_cell_volume   66.25
_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  0.22  0.0  0.68  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.35  1.0
  Ag  Ag1  1  0.0  0.22  0.68  1.0

data_HfBeAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.6
_cell_angle_alpha   118.92
_cell_angle_beta   118.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeAg2
_chemical_formula_sum   'Hf1 Be1 Ag2'
_cell_volume   66.25
_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  0.32  0.0  0.55  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.55  0.22  0.55  1.0
  Ag  Ag3  1  0.65  0.0  0.65  1.0

Hf Be Ag Ag
Hf Be Ag Ag 0 2 o o o 0 3 o o o 1 2 o o o 2 3 o o o 