data_Hf2BeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   8.09
_cell_angle_alpha   22.87
_cell_angle_beta   22.87
_cell_angle_gamma   22.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeRe
_chemical_formula_sum   'Hf2 Be1 Re1'
_cell_volume   70.15
_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  0.0  0.0  0.97  1.0
  Hf  Hf2  1  0.0  0.0  0.65  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.81  1.0

data_Hf2BeRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   103.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2BeRe
_chemical_formula_sum   'Hf4 Be2 Re2'
_cell_volume   140.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.35  1.0
  Hf  Hf1  2  -0.0  0.0  0.03  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Re  Re3  2  -0.0  0.0  0.19  1.0

Hf Hf Be Re