data_NaHf2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   149.71
_cell_angle_beta   128.14
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Sn
_chemical_formula_sum   'Na1 Hf2 Sn1'
_cell_volume   91.91
_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  0.0  0.0  0.37  1.0
  Hf  Hf0  1  0.0  0.0  0.03  1.0
  Hf  Hf1  1  0.61  0.0  0.52  1.0
  Sn  Sn3  1  0.0  0.69  0.68  1.0

data_NaHf2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.39
_cell_length_c   6.16
_cell_angle_alpha   115.93
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Sn
_chemical_formula_sum   'Na1 Hf2 Sn1'
_cell_volume   91.91
_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  0.63  0.63  0.63  1.0
  Hf  Hf1  1  0.09  0.48  0.09  1.0
  Hf  Hf2  1  0.97  0.97  0.97  1.0
  Sn  Sn3  1  0.32  0.02  0.02  1.0

Na Hf Hf Sn