data_[Rb1Tm1Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.8758]
_cell_length_b [7.8758]
_cell_length_c [8.2100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [RbTmHgI6]
_chemical_formula_sum '[Rb1 Tm1 Hg1 I6]'
_cell_volume [441.0285]
_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  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  1  0.3333  0.6667  0.5000  1.0
  Hg  Hg2  1  0.6667  0.3333  0.5000  1.0
  I  I3  6  0.0062  0.3760  0.7152  1.0
]