data_NaAg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   3.06
_cell_angle_alpha   101.51
_cell_angle_beta   101.51
_cell_angle_gamma   114.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg2Sn
_chemical_formula_sum   'Na1 Ag2 Sn1'
_cell_volume   86.73
_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
  Ag  Ag0  1  0.01  0.57  0.42  1.0
  Ag  Ag1  1  0.01  0.43  0.42  1.0
  Sn  Sn3  1  0.14  0.0  0.0  1.0

data_NaAg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   114.18
_cell_angle_beta   101.51
_cell_angle_gamma   101.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg2Sn
_chemical_formula_sum   'Na1 Ag2 Sn1'
_cell_volume   86.73
_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
  Ag  Ag1  1  0.42  0.01  0.57  1.0
  Ag  Ag2  1  0.42  0.01  0.43  1.0
  Sn  Sn3  1  0.0  0.14  0.0  1.0

Na Ag Ag Sn
Na Ag Ag Sn 0 3 o o o 1 2 o o o 