data_[Nb2Hg2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [8.3934]
_cell_length_b [11.3724]
_cell_length_c [6.8323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NbHgCl5]
_chemical_formula_sum '[Nb2 Hg2 Cl10]'
_cell_volume [652.1629]
_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
[
  Nb  Nb0  2  0.0000  0.5000  0.0705  1
  Hg  Hg1  2  0.0000  0.0000  0.0492  1
  Cl  Cl2  4  0.0000  0.3240  0.9063  1
  Cl  Cl3  4  0.2206  0.0000  0.5658  1
  Cl  Cl4  2  0.0000  0.5000  0.4054  1
]