data_[Rb4In4Hg4I12]
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 [19.9486]
_cell_length_b [5.6200]
_cell_length_c [14.7053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbInHgI3]
_chemical_formula_sum '[Rb4 In4 Hg4 I12]'
_cell_volume [1518.6008]
_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  0.1511  0.5000  0.5716  1.0
  In  In1  4  0.0183  0.0000  0.2294  1.0
  Hg  Hg2  4  0.2214  0.5000  0.0481  1.0
  I  I3  4  0.0132  0.5000  0.1602  1.0
  I  I4  4  0.0856  0.0000  0.6754  1.0
  I  I5  4  0.1567  0.0000  0.4066  1.0
]