data_Sr3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   148.44
_cell_angle_beta   58.79
_cell_angle_gamma   131.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Al
_chemical_formula_sum   'Sr3 Al1'
_cell_volume   169.67
_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  Sr1  1  0.07  0.0  0.58  1.0
  Sr  Sr2  1  0.07  0.61  0.46  1.0
  Sr  Sr3  1  0.0  0.01  0.56  1.0
  Al  Al0  1  0.0  0.0  0.74  1.0

data_Sr3Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   6.21
_cell_length_c   7.6
_cell_angle_alpha   114.12
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Al
_chemical_formula_sum   'Sr3 Al1'
_cell_volume   169.67
_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  0.01  0.44  0.44  1.0
  Sr  Sr1  1  0.55  0.15  0.09  1.0
  Sr  Sr2  1  0.93  0.42  0.35  1.0
  Al  Al3  1  0.0  0.26  0.26  1.0

Sr Sr Sr Al
Sr Sr Sr Al 0 2 o o o 0 1 o - o 0 3 o o o 1 3 o + o 