data_InAg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.36
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   91.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Sn
_chemical_formula_sum   'In1 Ag2 Sn1'
_cell_volume   86.9
_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
  In  In2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.52  0.18  0.82  1.0
  Ag  Ag1  1  0.49  0.18  0.55  1.0
  Sn  Sn3  1  0.94  0.0  0.18  1.0

data_InAg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.36
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   91.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Sn
_chemical_formula_sum   'In1 Ag2 Sn1'
_cell_volume   86.9
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.49  0.18  0.55  1.0
  Ag  Ag2  1  0.52  0.18  0.82  1.0
  Sn  Sn3  1  0.94  0.0  0.18  1.0

In Ag Ag Sn
In Ag Ag Sn 0 3 - o o 0 1 - o - 1 2 o o o 