data_Be2AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   149.31
_cell_angle_beta   121.87
_cell_angle_gamma   67.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlCl
_chemical_formula_sum   'Be2 Al1 Cl1'
_cell_volume   61.3
_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
  Be  Be1  1  0.38  0.0  0.38  1.0
  Be  Be2  1  0.0  0.0  0.16  1.0
  Al  Al0  1  0.0  0.0  0.79  1.0
  Cl  Cl3  1  0.38  0.0  0.74  1.0

data_Be2AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.08
_cell_length_c   5.23
_cell_angle_alpha   119.06
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlCl
_chemical_formula_sum   'Be2 Al1 Cl1'
_cell_volume   61.3
_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
  Be  Be0  1  0.0  0.16  0.16  1.0
  Be  Be1  1  0.0  0.38  1.0  1.0
  Al  Al2  1  0.0  0.79  0.79  1.0
  Cl  Cl3  1  0.0  0.74  0.35  1.0

Be Be Al Cl