data_Sr2BeAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   49.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeAl
_chemical_formula_sum   'Sr2 Be1 Al1'
_cell_volume   122.32
_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  0.23  0.0  0.11  1.0
  Sr  Sr3  1  0.0  0.0  0.3  1.0
  Be  Be1  1  0.0  0.0  0.74  1.0
  Al  Al0  1  0.23  0.0  0.59  1.0

data_Sr2BeAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   5.04
_cell_length_c   6.0
_cell_angle_alpha   114.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeAl
_chemical_formula_sum   'Sr2 Be1 Al1'
_cell_volume   122.32
_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  0.3  0.3  1.0
  Sr  Sr1  1  0.77  0.11  0.11  1.0
  Be  Be2  1  0.0  0.74  0.74  1.0
  Al  Al3  1  0.77  0.59  0.59  1.0

Sr Sr Be Al
Sr Sr Be Al 0 1 o o o 2 3 o o o 