data_Ag2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Sn
_chemical_formula_sum   'Ag2 Sn1'
_cell_volume   63.07
_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
  Ag  Ag0  1  0.43  0.4  0.55  1.0
  Ag  Ag1  1  0.0  0.8  0.55  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_Ag2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Sn
_chemical_formula_sum   'Ag2 Sn1'
_cell_volume   63.07
_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
  Ag  Ag0  1  0.55  0.0  0.8  1.0
  Ag  Ag1  1  0.55  0.43  0.4  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

Ag Ag Sn
Ag Ag Sn 0 2 o o o 0 2 o o + 0 1 o - o 0 1 + o o 1 2 o + o 1 2 o + + 