data_[Be4Ge4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.5435]
_cell_length_b [7.9739]
_cell_length_c [9.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BeGeCl4]
_chemical_formula_sum '[Be4 Ge4 Cl16]'
_cell_volume [679.3418]
_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  4  0.0000  0.1285  0.2500  1
  Ge  Ge1  4  0.0000  0.4780  0.7500  1
  Cl  Cl2  8  0.0000  0.2961  0.0890  1
  Cl  Cl3  8  0.1859  0.0217  0.7500  1
]