data_[Be4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.5190]
_cell_length_b [5.1687]
_cell_length_c [22.3350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [BeCl2]
_chemical_formula_sum '[Be4 Cl8]'
_cell_volume [868.0107]
_cell_formula_units_Z [4]
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  0.1511  0.9820  0.1156  1
  Be  Be1  2  0.4004  0.0298  0.0372  1
  Cl  Cl2  2  0.0380  0.4071  0.8357  1
  Cl  Cl3  2  0.1547  0.2021  0.0425  1
  Cl  Cl4  2  0.3943  0.7827  0.9660  1
  Cl  Cl5  2  0.3982  0.8470  0.1185  1
]