data_LiAg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   129.57
_cell_angle_beta   129.57
_cell_angle_gamma   74.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg2Sb
_chemical_formula_sum   'Li1 Ag2 Sb1'
_cell_volume   76.78
_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
  Ag  Ag0  1  0.0  0.0  0.07  1.0
  Ag  Ag1  1  0.0  0.17  0.03  1.0
  Sb  Sb3  1  0.17  0.0  0.03  1.0

data_LiAg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.1
_cell_angle_alpha   115.22
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg2Sb
_chemical_formula_sum   'Li1 Ag2 Sb1'
_cell_volume   76.78
_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
  Ag  Ag1  1  0.07  0.07  0.07  1.0
  Ag  Ag2  1  0.86  0.03  0.86  1.0
  Sb  Sb3  1  0.03  0.86  0.86  1.0

Li Ag Ag Sb
Li Ag Ag Sb 0 1 o o o 0 2 o o o 0 3 o o o 