data_[Ta2Hg4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7970]
_cell_length_b [6.7589]
_cell_length_c [8.7860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(HgCl4)2]
_chemical_formula_sum '[Ta2 Hg4 Cl16]'
_cell_volume [807.6322]
_cell_formula_units_Z [2]
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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  4  0.1652  0.0000  0.3934  1
  Cl  Cl2  8  0.1227  0.2425  0.0572  1
  Cl  Cl3  4  0.0145  0.0000  0.7246  1
  Cl  Cl4  4  0.1669  0.5000  0.4836  1
]