data_Sr2LaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   148.41
_cell_angle_beta   130.83
_cell_angle_gamma   59.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaAu
_chemical_formula_sum   'Sr2 La1 Au1'
_cell_volume   151.6
_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  0.03  0.3  1.0
  Sr  Sr3  1  0.0  0.0  0.87  1.0
  La  La1  1  0.0  0.0  0.68  1.0
  Au  Au0  1  0.0  0.03  0.1  1.0

data_Sr2LaAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   6.06
_cell_length_c   7.28
_cell_angle_alpha   114.58
_cell_angle_beta   105.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaAu
_chemical_formula_sum   'Sr2 La1 Au1'
_cell_volume   151.6
_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  0.13  0.13  0.13  1.0
  Sr  Sr1  1  0.7  0.73  0.73  1.0
  La  La2  1  0.32  0.32  0.32  1.0
  Au  Au3  1  0.9  0.93  0.93  1.0

Sr Sr La Au
Sr Sr La Au 0 3 o o o 1 3 o o + 1 2 o o o 