data_HfBe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   20.7
_cell_angle_beta   20.7
_cell_angle_gamma   20.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Sb
_chemical_formula_sum   'Hf1 Be2 Sb1'
_cell_volume   71.58
_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  0.0  0.0  0.74  1.0
  Be  Be0  1  0.0  0.0  0.12  1.0
  Be  Be1  1  0.0  0.0  0.36  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_HfBe2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   101.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfBe2Sb
_chemical_formula_sum   'Hf2 Be4 Sb2'
_cell_volume   143.16
_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  0.26  1.0
  Be  Be1  2  -0.0  0.0  0.88  1.0
  Be  Be2  2  0.0  0.0  0.64  1.0
  Sb  Sb3  2  -0.0  0.0  0.0  1.0

Hf Be Be Sb