data_[Be3Tl6Pb3Cl18]
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 [R3]
_cell_length_a [7.4018]
_cell_length_b [7.4018]
_cell_length_c [22.9867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BeTl2PbCl6]
_chemical_formula_sum '[Be3 Tl6 Pb3 Cl18]'
_cell_volume [1090.6467]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7470  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4864  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9705  1.0
  Pb  Pb3  3  0.0000  0.0000  0.1776  1.0
  Cl  Cl4  9  0.0082  0.6353  0.9055  1.0
  Cl  Cl5  9  0.0498  0.4348  0.4136  1.0
]