data_[Be4Tl4Pb4Cl20]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0770]
_cell_length_b [11.9492]
_cell_length_c [10.1223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeTlPbCl5]
_chemical_formula_sum '[Be4 Tl4 Pb4 Cl20]'
_cell_volume [994.4679]
_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  0.3110  0.7500  1
  Tl  Tl1  4  0.0000  0.3574  0.2500  1
  Pb  Pb2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.1172  0.2151  0.6564  1
  Cl  Cl4  8  0.1611  0.4115  0.9123  1
  Cl  Cl5  4  0.0000  0.1004  0.2500  1
]