data_[Rb6Na45Ca6]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.4643]
_cell_length_b [12.4643]
_cell_length_c [18.4310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2Na15Ca2]
_chemical_formula_sum '[Rb6 Na45 Ca6]'
_cell_volume [2479.7953]
_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  6  0.0000  0.0000  0.3442  1
  Na  Na1  18  0.0000  0.2849  0.0000  1
  Na  Na2  18  0.0047  0.5024  0.8514  1
  Na  Na3  9  0.0000  0.5000  0.5000  1
  Ca  Ca4  6  0.0000  0.0000  0.1000  1
]