data_[Nb4Hg4Rh2S12]
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
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6597]
_cell_length_b [10.5317]
_cell_length_c [9.5388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2Hg2RhS6]
_chemical_formula_sum '[Nb4 Hg4 Rh2 S12]'
_cell_volume [550.1548]
_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  4  0.0000  0.1416  0.5000  1.0
  Hg  Hg1  4  0.0000  0.2497  0.0000  1.0
  Rh  Rh2  2  0.0000  0.5000  0.5000  1.0
  S  S3  8  0.0869  0.3316  0.3466  1.0
  S  S4  4  0.1057  0.0000  0.3218  1.0
]