data_[Be4Tl4Sn4Cl20]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0332]
_cell_length_b [11.8812]
_cell_length_c [9.9818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeTlSnCl5]
_chemical_formula_sum '[Be4 Tl4 Sn4 Cl20]'
_cell_volume [969.7728]
_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  0.3113  0.2500  1.0
  Tl  Tl1  4  0.0000  0.3558  0.7500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1144  0.2153  0.1516  1.0
  Cl  Cl4  8  0.1644  0.4124  0.4131  1.0
  Cl  Cl5  4  0.0000  0.0958  0.7500  1.0
]