data_[Rb2Tb2Hg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1538]
_cell_length_b [4.3051]
_cell_length_c [10.4395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTbHgSe3]
_chemical_formula_sum '[Rb2 Tb2 Hg2 Se6]'
_cell_volume [389.6172]
_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
[
  Rb  Rb0  2  0.2212  0.2500  0.2465  1.0
  Tb  Tb1  2  0.3285  0.7500  0.8646  1.0
  Hg  Hg2  2  0.0901  0.2500  0.6153  1.0
  Se  Se3  2  0.1100  0.2500  0.8721  1.0
  Se  Se4  2  0.2347  0.7500  0.5495  1.0
  Se  Se5  2  0.4660  0.7500  0.1487  1.0
]