data_[Hg4Rh4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3287]
_cell_length_b [10.3297]
_cell_length_c [5.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgRhSe2]
_chemical_formula_sum '[Hg4 Rh4 Se8]'
_cell_volume [443.8445]
_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
[
  Hg  Hg0  4  0.0000  0.3745  0.2500  1
  Rh  Rh1  4  0.0000  0.0032  0.7500  1
  Se  Se2  8  0.1759  0.1373  0.6543  1
]