data_[Rb4In4Hg4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5811]
_cell_length_b [8.6101]
_cell_length_c [8.8829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbInHgI4]
_chemical_formula_sum '[Rb4 In4 Hg4 I16]'
_cell_volume [1494.4103]
_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  0.2148  0.5000  0.7479  1.0
  In  In1  4  0.1528  0.5000  0.1962  1.0
  Hg  Hg2  4  0.0260  0.0000  0.3281  1.0
  I  I3  8  0.1335  0.2437  0.9992  1.0
  I  I4  4  0.0659  0.5000  0.3752  1.0
  I  I5  4  0.2130  0.0000  0.6020  1.0
]