data_NaFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.89
_cell_angle_alpha   99.57
_cell_angle_beta   99.57
_cell_angle_gamma   43.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeSn2
_chemical_formula_sum   'Na1 Fe1 Sn2'
_cell_volume   91.0
_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
  Fe  Fe0  1  0.49  0.0  0.39  1.0
  Sn  Sn2  1  0.06  0.0  0.6  1.0
  Sn  Sn3  1  0.93  0.0  0.18  1.0

data_NaFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.42
_cell_length_c   6.89
_cell_angle_alpha   99.57
_cell_angle_beta   90.0
_cell_angle_gamma   111.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeSn2
_chemical_formula_sum   'Na1 Fe1 Sn2'
_cell_volume   91.0
_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
  Fe  Fe1  1  0.0  0.51  0.61  1.0
  Sn  Sn2  1  0.0  0.07  0.82  1.0
  Sn  Sn3  1  0.0  0.94  0.4  1.0

Na Fe Sn Sn
Na Fe Sn Sn 0 3 - o o 0 2 o o - 1 3 - o o 1 3 o o o 1 2 o o o 1 2 + o o 2 3 - o o 