data_BeAlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   147.17
_cell_angle_beta   147.17
_cell_angle_gamma   47.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlCl
_chemical_formula_sum   'Be1 Al1 Cl1'
_cell_volume   49.33
_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  0.0  0.0  0.56  1.0
  Al  Al0  1  0.0  0.0  0.41  1.0
  Cl  Cl2  1  0.0  0.0  0.15  1.0

data_BeAlCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   113.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAlCl
_chemical_formula_sum   'Be2 Al2 Cl2'
_cell_volume   98.67
_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
  Be  Be0  2  0.0  0.0  0.44  1.0
  Al  Al1  2  0.0  0.0  0.59  1.0
  Cl  Cl2  2  0.0  0.0  0.85  1.0

Be Al Cl