data_Sr2LiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   122.48
_cell_angle_beta   119.75
_cell_angle_gamma   88.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiAg
_chemical_formula_sum   'Sr2 Li1 Ag1'
_cell_volume   128.94
_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
  Sr  Sr2  1  0.0  0.86  0.02  1.0
  Sr  Sr3  1  0.75  0.0  0.08  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.1  1.0

data_Sr2LiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   60.25
_cell_angle_beta   61.24
_cell_angle_gamma   61.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiAg
_chemical_formula_sum   'Sr2 Li1 Ag1'
_cell_volume   128.94
_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
  Sr  Sr0  1  0.02  0.0  0.85  1.0
  Sr  Sr1  1  0.34  0.75  0.92  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.1  0.0  0.9  1.0

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