data_[Be8Tl4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6528]
_cell_length_b [13.1461]
_cell_length_c [6.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be2TlCl6]
_chemical_formula_sum '[Be8 Tl4 Cl24]'
_cell_volume [971.9337]
_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  8  0.2171  0.4270  0.6650  1.0
  Tl  Tl1  4  0.0000  0.2268  0.2500  1.0
  Cl  Cl2  8  0.1220  0.0843  0.1333  1.0
  Cl  Cl3  8  0.1405  0.3029  0.7092  1.0
  Cl  Cl4  8  0.1677  0.4438  0.2902  1.0
]