data_[Zr20Tl4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6904]
_cell_length_b [10.7574]
_cell_length_c [5.8390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr5TlHg]
_chemical_formula_sum '[Zr20 Tl4 Hg4]'
_cell_volume [648.5630]
_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
[
  Zr  Zr0  8  0.1630  0.2003  0.7867  1
  Zr  Zr1  8  0.2445  0.4414  0.5958  1
  Zr  Zr2  4  0.0000  0.2792  0.2500  1
  Tl  Tl3  4  0.0000  0.4321  0.7500  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]