data_HfBe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   122.51
_cell_angle_beta   122.51
_cell_angle_gamma   85.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ag
_chemical_formula_sum   'Hf1 Be2 Ag1'
_cell_volume   58.53
_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  0.13  0.0  0.62  1.0
  Be  Be1  1  0.0  0.13  0.62  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.24  1.0

data_HfBe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.42
_cell_angle_alpha   118.74
_cell_angle_beta   118.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ag
_chemical_formula_sum   'Hf1 Be2 Ag1'
_cell_volume   58.53
_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  0.62  0.49  0.49  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.49  0.62  0.49  1.0
  Ag  Ag3  1  0.24  0.24  0.24  1.0

Hf Be Be Ag