data_[Be4W2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.4540]
_cell_length_b [3.4540]
_cell_length_c [8.4562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Be2WCl]
_chemical_formula_sum '[Be4 W2 Cl2]'
_cell_volume [100.8821]
_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
  Be  Be1  2  0.0000  0.5000  0.7500  1
  W  W2  2  0.0000  0.5000  0.2500  1
  Cl  Cl3  2  0.0000  0.0000  0.5000  1
]