data_NaHfSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67
_cell_length_b   8.44
_cell_length_c   3.15
_cell_angle_alpha   83.59
_cell_angle_beta   75.27
_cell_angle_gamma   21.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfSn
_chemical_formula_sum   'Na1 Hf1 Sn1'
_cell_volume   74.93
_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  0.72  0.63  0.08  1.0
  Hf  Hf0  1  0.72  0.63  0.35  1.0
  Sn  Sn2  1  0.72  0.63  0.61  1.0

data_NaHfSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.44
_cell_length_b   16.52
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   123.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHfSn
_chemical_formula_sum   'Na2 Hf2 Sn2'
_cell_volume   149.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.5  0.8  1.0
  Hf  Hf1  2  0.22  0.5  0.08  1.0
  Sn  Sn2  2  0.22  0.5  0.33  1.0

Na Hf Sn
Na Hf Sn 0 1 o o o 1 2 o o o 