data_[Be2Al4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7464]
_cell_length_b [9.7046]
_cell_length_c [5.9856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be(AlCl4)2]
_chemical_formula_sum '[Be2 Al4 Cl16]'
_cell_volume [682.2948]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  4  0.1947  0.0000  0.3516  1.0
  Cl  Cl2  8  0.0895  0.1615  0.1907  1.0
  Cl  Cl3  4  0.1340  0.5000  0.7437  1.0
  Cl  Cl4  4  0.1784  0.0000  0.7079  1.0
]