data_SrLiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   135.83
_cell_angle_beta   130.87
_cell_angle_gamma   68.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiAu2
_chemical_formula_sum   'Sr1 Li1 Au2'
_cell_volume   90.02
_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  Sr3  1  0.0  0.32  0.29  1.0
  Li  Li2  1  0.0  0.0  0.45  1.0
  Au  Au0  1  0.0  0.0  0.08  1.0
  Au  Au1  1  0.1  0.0  0.42  1.0

data_SrLiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.64
_cell_length_c   5.58
_cell_angle_alpha   114.57
_cell_angle_beta   112.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiAu2
_chemical_formula_sum   'Sr1 Li1 Au2'
_cell_volume   90.02
_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  0.71  0.03  0.03  1.0
  Li  Li1  1  0.55  0.55  0.55  1.0
  Au  Au2  1  0.68  0.58  0.68  1.0
  Au  Au3  1  0.92  0.92  0.92  1.0

Sr Li Au Au
Sr Li Au Au 0 2 o o o 1 3 o o o 