data_LiMgAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.36
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgAg2
_chemical_formula_sum   'Li1 Mg1 Ag2'
_cell_volume   69.42
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.0  0.0  0.22  1.0
  Ag  Ag0  1  0.61  0.68  0.92  1.0
  Ag  Ag1  1  0.61  0.68  0.51  1.0

data_LiMgAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.36
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgAg2
_chemical_formula_sum   'Li1 Mg1 Ag2'
_cell_volume   69.42
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.22  1.0
  Ag  Ag2  1  0.61  0.68  0.51  1.0
  Ag  Ag3  1  0.61  0.68  0.92  1.0

Li Mg Ag Ag
Li Mg Ag Ag 0 1 o o o 0 2 - - - 1 3 o - o 1 3 - o o 1 3 - - o 2 3 o o o 3 3 + o o 