data_SrLa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   5.61
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Cu
_chemical_formula_sum   'Sr1 La2 Cu1'
_cell_volume   128.45
_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  0.94  0.8  0.0  1.0
  La  La1  1  0.0  0.8  0.95  1.0
  La  La2  1  0.94  0.0  0.95  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_SrLa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.61
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Cu
_chemical_formula_sum   'Sr1 La2 Cu1'
_cell_volume   128.45
_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  0.94  0.8  -0.0  1.0
  La  La1  1  0.0  0.8  0.95  1.0
  La  La2  1  0.94  0.0  0.95  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

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