data_Ag3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   116.88
_cell_angle_beta   116.88
_cell_angle_gamma   116.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Sn
_chemical_formula_sum   'Ag3 Sn1'
_cell_volume   79.03
_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  0.39  0.62  0.0  1.0
  Ag  Ag1  1  0.0  0.76  0.0  1.0
  Ag  Ag2  1  0.61  0.62  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_Ag3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   116.88
_cell_angle_beta   100.29
_cell_angle_gamma   100.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Sn
_chemical_formula_sum   'Ag3 Sn1'
_cell_volume   79.03
_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  0.0  0.39  0.38  1.0
  Ag  Ag1  1  0.0  0.0  0.24  1.0
  Ag  Ag2  1  0.0  0.61  0.38  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Ag Ag Ag Sn
Ag Ag Ag Sn 0 2 o o o 1 3 o + o 