data_[Rb4Gd4Hg4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Gd  1.2000  1.8000  1.0750
  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 [18.5482]
_cell_length_b [4.2554]
_cell_length_c [9.3752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbGdHgSe3]
_chemical_formula_sum '[Rb4 Gd4 Hg4 Se12]'
_cell_volume [722.5664]
_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  0.1441  0.0000  0.0696  1
  Gd  Gd1  4  0.1709  0.0000  0.5768  1
  Hg  Hg2  4  0.0173  0.5000  0.7223  1
  Se  Se3  4  0.1685  0.5000  0.7844  1
  Se  Se4  4  0.1710  0.5000  0.3685  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]