data_NaHfSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   138.52
_cell_angle_beta   138.52
_cell_angle_gamma   60.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfSn2
_chemical_formula_sum   'Na1 Hf1 Sn2'
_cell_volume   93.2
_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  Na1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.12  0.59  1.0
  Sn  Sn2  1  0.12  0.0  0.59  1.0
  Sn  Sn3  1  0.0  0.0  0.18  1.0

data_NaHfSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.99
_cell_angle_alpha   110.74
_cell_angle_beta   110.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfSn2
_chemical_formula_sum   'Na1 Hf1 Sn2'
_cell_volume   93.2
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.53  0.12  0.53  1.0
  Sn  Sn2  1  0.41  0.0  0.53  1.0
  Sn  Sn3  1  0.82  0.0  0.82  1.0

Na Hf Sn Sn