data_Sr2AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlCu
_chemical_formula_sum   'Sr2 Al1 Cu1'
_cell_volume   117.56
_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  0.0  0.67  1.0
  Sr  Sr3  1  0.52  0.0  0.18  1.0
  Al  Al0  1  0.0  0.0  0.88  1.0
  Cu  Cu1  1  0.52  0.0  0.92  1.0

data_Sr2AlCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2AlCu
_chemical_formula_sum   'Sr2 Al1 Cu1'
_cell_volume   117.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.67  1.0
  Sr  Sr1  1  0.52  0.0  0.18  1.0
  Al  Al2  1  0.0  0.0  0.88  1.0
  Cu  Cu3  1  0.52  0.0  0.92  1.0

Sr Sr Al Cu