data_Na2LiHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   6.4
_cell_angle_alpha   94.21
_cell_angle_beta   94.21
_cell_angle_gamma   29.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiHf
_chemical_formula_sum   'Na2 Li1 Hf1'
_cell_volume   103.04
_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  Na2  1  0.55  0.0  0.36  1.0
  Na  Na3  1  0.37  0.0  0.75  1.0
  Li  Li1  1  0.18  0.0  0.8  1.0
  Hf  Hf0  1  0.23  0.0  0.05  1.0

data_Na2LiHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.71
_cell_length_c   6.4
_cell_angle_alpha   94.21
_cell_angle_beta   90.0
_cell_angle_gamma   104.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiHf
_chemical_formula_sum   'Na2 Li1 Hf1'
_cell_volume   103.04
_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  0.45  0.64  1.0
  Na  Na1  1  0.0  0.63  0.25  1.0
  Li  Li2  1  0.0  0.82  0.2  1.0
  Hf  Hf3  1  0.0  0.77  0.95  1.0

Na Na Li Hf