data_[Rb3Na3Ca6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3624]
_cell_length_b [8.3624]
_cell_length_c [21.8437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbNaCa2I6]
_chemical_formula_sum '[Rb3 Na3 Ca6 I18]'
_cell_volume [1322.8794]
_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  0.7951  1.0
  Na  Na1  3  0.0000  0.0000  0.3163  1.0
  Ca  Ca2  3  0.0000  0.0000  0.0056  1.0
  Ca  Ca3  3  0.0000  0.0000  0.5141  1.0
  I  I4  9  0.0361  0.3383  0.5898  1.0
  I  I5  9  0.0875  0.7435  0.0871  1.0
]