data_[Rb3Na3Ca6Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3539]
_cell_length_b [7.3539]
_cell_length_c [19.0502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbNaCa2Cl6]
_chemical_formula_sum '[Rb3 Na3 Ca6 Cl18]'
_cell_volume [892.2085]
_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  0.7829  1.0
  Na  Na1  3  0.0000  0.0000  0.3127  1.0
  Ca  Ca2  3  0.0000  0.0000  0.0085  1.0
  Ca  Ca3  3  0.0000  0.0000  0.5173  1.0
  Cl  Cl4  9  0.0437  0.3393  0.5919  1.0
  Cl  Cl5  9  0.1054  0.7575  0.0881  1.0
]