data_LiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   104.09
_cell_angle_beta   104.09
_cell_angle_gamma   120.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg2
_chemical_formula_sum   'Li2 Ag4'
_cell_volume   97.25
_cell_formula_units_Z   2
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  Li4  1  0.0  0.0  0.25  1.0
  Li  Li5  1  0.0  0.0  0.75  1.0
  Ag  Ag0  1  0.98  0.14  0.5  1.0
  Ag  Ag1  1  0.14  0.98  0.0  1.0
  Ag  Ag2  1  0.98  0.1  0.0  1.0
  Ag  Ag3  1  0.14  0.02  0.5  1.0

data_LiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   75.91
_cell_angle_beta   60.43
_cell_angle_gamma   60.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg2
_chemical_formula_sum   'Li2 Ag4'
_cell_volume   97.25
_cell_formula_units_Z   2
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  0.25  0.75  0.0  1.0
  Li  Li1  1  0.75  0.25  0.0  1.0
  Ag  Ag2  1  0.1  0.0  0.88  1.0
  Ag  Ag3  1  0.52  0.5  0.12  1.0
  Ag  Ag4  1  0.64  0.5  0.84  1.0
  Ag  Ag5  1  0.98  -0.0  0.16  1.0

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