data_NaHfBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.87
_cell_angle_alpha   107.86
_cell_angle_beta   107.86
_cell_angle_gamma   28.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfBe2
_chemical_formula_sum   'Na1 Hf1 Be2'
_cell_volume   63.68
_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
  Na  Na3  1  0.34  0.0  0.9  1.0
  Hf  Hf2  1  0.73  0.0  0.59  1.0
  Be  Be0  1  0.04  0.0  0.04  1.0
  Be  Be1  1  0.86  0.0  0.4  1.0

data_NaHfBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.87
_cell_length_c   5.42
_cell_angle_alpha   107.86
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfBe2
_chemical_formula_sum   'Na1 Hf1 Be2'
_cell_volume   63.68
_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
  Na  Na0  1  0.0  0.9  0.34  1.0
  Hf  Hf1  1  0.0  0.59  0.73  1.0
  Be  Be2  1  0.0  0.04  0.04  1.0
  Be  Be3  1  0.0  0.4  0.86  1.0

Na Hf Be Be