data_[Rb2Tb1Hg1I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8179]
_cell_length_b [8.8772]
_cell_length_c [8.9752]
_cell_angle_alpha [115.5849]
_cell_angle_beta [119.0183]
_cell_angle_gamma [93.6779]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2TbHgI6]
_chemical_formula_sum '[Rb2 Tb1 Hg1 I6]'
_cell_volume [519.7086]
_cell_formula_units_Z [1]
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  1  0.2770  0.6437  0.4758  1.0
  Rb  Rb1  1  0.7203  0.1811  0.3688  1.0
  Tb  Tb2  1  0.4930  0.5248  0.0277  1.0
  Hg  Hg3  1  0.8260  0.0110  0.7770  1.0
  I  I4  1  0.2233  0.2889  0.5860  1.0
  I  I5  1  0.3078  0.2755  0.0885  1.0
  I  I6  1  0.3362  0.7939  0.1742  1.0
  I  I7  1  0.6941  0.7680  0.9743  1.0
  I  I8  1  0.7847  0.3263  0.0562  1.0
  I  I9  1  0.8388  0.6927  0.4736  1.0
]