data_Hf2BeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.49
_cell_angle_alpha   106.18
_cell_angle_beta   106.18
_cell_angle_gamma   34.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeRu
_chemical_formula_sum   'Hf2 Be1 Ru1'
_cell_volume   66.79
_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  Hf1  1  0.59  0.0  0.14  1.0
  Hf  Hf2  1  0.21  0.0  0.19  1.0
  Be  Be0  1  0.2  0.0  0.23  1.0
  Ru  Ru3  1  0.61  0.0  0.17  1.0

data_Hf2BeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.49
_cell_length_c   5.22
_cell_angle_alpha   106.18
_cell_angle_beta   107.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeRu
_chemical_formula_sum   'Hf2 Be1 Ru1'
_cell_volume   66.79
_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  0.59  1.0
  Hf  Hf1  1  0.0  0.19  0.21  1.0
  Be  Be2  1  0.0  0.23  0.2  1.0
  Ru  Ru3  1  0.0  0.17  0.61  1.0

Hf Hf Be Ru