data_HfBeFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeFe
_chemical_formula_sum   'Hf1 Be1 Fe1'
_cell_volume   40.35
_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  0.2  0.6  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.91  0.1  0.0  1.0

data_HfBeFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.81
_cell_length_c   3.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeFe
_chemical_formula_sum   'Hf1 Be1 Fe1'
_cell_volume   40.35
_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  0.6  0.0  0.2  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  -0.0  0.91  0.1  1.0

Hf Be Fe
Hf Be Fe 0 2 - o + 0 1 o o + 1 2 - o o 