data_HfScBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.64
_cell_angle_alpha   102.02
_cell_angle_beta   102.02
_cell_angle_gamma   44.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScBe2
_chemical_formula_sum   'Hf1 Sc1 Be2'
_cell_volume   68.45
_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  0.28  0.0  0.75  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.56  0.0  0.42  1.0
  Be  Be1  1  0.01  0.0  0.08  1.0

data_HfScBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.23
_cell_length_c   5.64
_cell_angle_alpha   102.02
_cell_angle_beta   90.0
_cell_angle_gamma   112.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScBe2
_chemical_formula_sum   'Hf1 Sc1 Be2'
_cell_volume   68.45
_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  0.72  0.25  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.0  0.44  0.58  1.0
  Be  Be3  1  0.0  0.99  0.92  1.0

Hf Sc Be Be