data_MgAg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.19
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg2Sn
_chemical_formula_sum   'Mg1 Ag2 Sn1'
_cell_volume   81.37
_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
  Mg  Mg2  1  0.0  0.0  0.87  1.0
  Ag  Ag0  1  0.0  0.0  0.04  1.0
  Ag  Ag1  1  0.61  0.09  0.54  1.0
  Sn  Sn3  1  0.61  0.09  0.58  1.0

data_MgAg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.19
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg2Sn
_chemical_formula_sum   'Mg1 Ag2 Sn1'
_cell_volume   81.37
_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
  Mg  Mg0  1  0.0  0.0  0.87  1.0
  Ag  Ag1  1  0.0  0.0  0.04  1.0
  Ag  Ag2  1  0.61  0.09  0.54  1.0
  Sn  Sn3  1  0.61  0.09  0.58  1.0

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