data_HfBe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.82
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Re
_chemical_formula_sum   'Hf1 Be2 Re1'
_cell_volume   52.72
_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  Hf2  1  0.71  0.0  0.02  1.0
  Be  Be0  1  0.0  0.91  0.02  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.71  0.91  0.0  1.0

data_HfBe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.82
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Re
_chemical_formula_sum   'Hf1 Be2 Re1'
_cell_volume   52.72
_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  0.71  0.0  0.02  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.0  0.91  0.02  1.0
  Re  Re3  1  0.71  0.91  0.0  1.0

Hf Be Be Re
Hf Be Be Re 0 3 o - o 1 2 o + o 