data_[Rb4Sc4Hg4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3562]
_cell_length_b [4.0213]
_cell_length_c [9.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbScHgSe3]
_chemical_formula_sum '[Rb4 Sc4 Hg4 Se12]'
_cell_volume [669.2784]
_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
[
  Rb  Rb0  4  0.1477  0.0000  0.0660  1
  Sc  Sc1  4  0.1789  0.0000  0.5769  1
  Hg  Hg2  4  0.0174  0.5000  0.7210  1
  Se  Se3  4  0.1705  0.5000  0.7696  1
  Se  Se4  4  0.1737  0.5000  0.3772  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]