data_[Rb6Mg3Zn3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.4373]
_cell_length_b [8.4373]
_cell_length_c [27.1753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2MgZnI6]
_chemical_formula_sum '[Rb6 Mg3 Zn3 I18]'
_cell_volume [1675.3563]
_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  0.0271  1.0
  Rb  Rb1  3  0.0000  0.0000  0.5302  1.0
  Mg  Mg2  3  0.0000  0.0000  0.7737  1.0
  Zn  Zn3  3  0.0000  0.0000  0.2612  1.0
  I  I4  9  0.0400  0.7053  0.4327  1.0
  I  I5  9  0.0682  0.3404  0.9253  1.0
]