data_Ag3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   130.71
_cell_angle_beta   130.71
_cell_angle_gamma   72.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Sn
_chemical_formula_sum   'Ag3 Sn1'
_cell_volume   77.75
_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  0.16  0.0  0.09  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.16  0.09  1.0
  Sn  Sn3  1  0.0  0.0  0.18  1.0

data_Ag3Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   126.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag3Sn
_chemical_formula_sum   'Ag6 Sn2'
_cell_volume   155.5
_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
  Ag  Ag0  4  0.42  0.42  0.93  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.18  1.0

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