data_Li2MgAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   2.95
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   118.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgAg
_chemical_formula_sum   'Li2 Mg1 Ag1'
_cell_volume   73.08
_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  0.84  0.62  0.36  1.0
  Li  Li2  1  0.84  0.38  0.36  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.82  0.0  0.0  1.0

data_Li2MgAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.27
_cell_length_c   5.53
_cell_angle_alpha   115.9
_cell_angle_beta   101.31
_cell_angle_gamma   98.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgAg
_chemical_formula_sum   'Li2 Mg1 Ag1'
_cell_volume   73.08
_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  0.74  0.38  0.22  1.0
  Li  Li1  1  0.98  0.62  0.47  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.82  1.0

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