data_LiMg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81
_cell_length_b   9.81
_cell_length_c   9.81
_cell_angle_alpha   18.08
_cell_angle_beta   18.08
_cell_angle_gamma   18.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Ag
_chemical_formula_sum   'Li1 Mg2 Ag1'
_cell_volume   79.28
_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  Li1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.0  0.0  0.78  1.0
  Mg  Mg3  1  0.0  0.0  0.15  1.0
  Ag  Ag0  1  0.0  0.0  0.47  1.0

data_LiMg2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   100.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMg2Ag
_chemical_formula_sum   'Li2 Mg4 Ag2'
_cell_volume   158.55
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Mg  Mg1  2  -0.0  0.0  0.85  1.0
  Mg  Mg2  2  -0.0  0.0  0.22  1.0
  Ag  Ag3  2  -0.0  0.0  0.53  1.0

Li Mg Mg Ag