data_[Rb6Zr3Hg3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0179]
_cell_length_b [8.0179]
_cell_length_c [21.8635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2ZrHgCl6]
_chemical_formula_sum '[Rb6 Zr3 Hg3 Cl18]'
_cell_volume [1217.2164]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0016  1
  Rb  Rb1  3  0.0000  0.0000  0.4753  1
  Zr  Zr2  3  0.0000  0.0000  0.6700  1
  Hg  Hg3  3  0.0000  0.0000  0.1813  1
  Cl  Cl4  9  0.0184  0.7590  0.6020  1
  Cl  Cl5  9  0.0820  0.4050  0.4014  1
]