data_NaFe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   131.52
_cell_angle_beta   131.52
_cell_angle_gamma   70.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Sn
_chemical_formula_sum   'Na1 Fe2 Sn1'
_cell_volume   67.35
_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  0.0  1.0
  Fe  Fe0  1  0.0  0.04  0.02  1.0
  Fe  Fe1  1  0.04  0.0  0.02  1.0
  Sn  Sn3  1  0.0  0.0  0.05  1.0

data_NaFe2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   125.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaFe2Sn
_chemical_formula_sum   'Na2 Fe4 Sn2'
_cell_volume   134.69
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  4  0.5  0.48  0.02  1.0
  Sn  Sn2  2  0.45  0.5  0.95  1.0

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