data_[Be2Tl2Hg1Cl6]
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
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4256]
_cell_length_b [7.7287]
_cell_length_c [8.1978]
_cell_angle_alpha [79.7255]
_cell_angle_beta [70.9748]
_cell_angle_gamma [62.0492]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Be2Tl2HgCl6]
_chemical_formula_sum '[Be2 Tl2 Hg1 Cl6]'
_cell_volume [392.7059]
_cell_formula_units_Z [1]
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  0.2852  0.7666  0.9279  1.0
  Tl  Tl1  2  0.3303  0.2313  0.7661  1.0
  Hg  Hg2  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.2114  0.5542  0.0277  1.0
  Cl  Cl4  2  0.2469  0.9518  0.0834  1.0
  Cl  Cl5  2  0.3808  0.8084  0.6824  1.0
]