data_NaHf2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   134.99
_cell_angle_beta   134.99
_cell_angle_gamma   65.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Be
_chemical_formula_sum   'Na1 Hf2 Be1'
_cell_volume   76.06
_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  0.0  0.05  0.26  1.0
  Hf  Hf1  1  0.05  0.0  0.26  1.0
  Hf  Hf2  1  0.0  0.0  0.51  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_NaHf2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.36
_cell_angle_alpha   112.5
_cell_angle_beta   112.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Be
_chemical_formula_sum   'Na1 Hf2 Be1'
_cell_volume   76.06
_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  0.8  0.05  0.8  1.0
  Hf  Hf1  1  0.49  0.0  0.49  1.0
  Hf  Hf2  1  0.74  0.0  0.8  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Na Hf Hf Be