data_SrLa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   147.02
_cell_angle_beta   131.48
_cell_angle_gamma   59.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Au
_chemical_formula_sum   'Sr1 La2 Au1'
_cell_volume   137.88
_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  0.0  0.62  1.0
  La  La1  1  0.0  0.0  0.49  1.0
  La  La2  1  0.98  0.0  0.0  1.0
  Au  Au0  1  0.0  0.87  0.1  1.0

data_SrLa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.74
_cell_length_c   6.99
_cell_angle_alpha   114.26
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Au
_chemical_formula_sum   'Sr1 La2 Au1'
_cell_volume   137.88
_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  0.0  0.62  0.62  1.0
  La  La1  1  0.0  0.0  0.02  1.0
  La  La2  1  0.0  0.49  0.49  1.0
  Au  Au3  1  0.13  0.23  0.23  1.0

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