data_HfTaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaBe
_chemical_formula_sum   'Hf1 Ta1 Be1'
_cell_volume   51.46
_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  0.53  0.93  1.0
  Ta  Ta2  1  0.19  0.27  0.4  1.0
  Be  Be0  1  0.0  0.0  0.85  1.0

data_HfTaBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaBe
_chemical_formula_sum   'Hf1 Ta1 Be1'
_cell_volume   51.46
_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  0.93  -0.0  0.53  1.0
  Ta  Ta1  1  0.4  0.19  0.27  1.0
  Be  Be2  1  0.85  0.0  0.0  1.0

Hf Ta Be