data_SrAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   147.65
_cell_angle_beta   147.65
_cell_angle_gamma   46.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlCu
_chemical_formula_sum   'Sr1 Al1 Cu1'
_cell_volume   67.81
_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  0.6  1.0
  Al  Al0  1  0.0  0.0  0.88  1.0
  Cu  Cu1  1  0.0  0.0  0.29  1.0

data_SrAlCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   113.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAlCu
_chemical_formula_sum   'Sr2 Al2 Cu2'
_cell_volume   135.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.1  0.5  0.6  1.0
  Al  Al1  2  0.38  0.5  0.88  1.0
  Cu  Cu2  2  0.29  0.0  0.29  1.0

Sr Al Cu