data_[K36Rb18Na3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.4443]
_cell_length_b [16.4443]
_cell_length_c [19.0228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K12Rb6Na]
_chemical_formula_sum '[K36 Rb18 Na3]'
_cell_volume [4454.8794]
_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  18  0.0335  0.5950  0.7114  1.0
  K  K1  18  0.0422  0.8645  0.8123  1.0
  K  K2  18  0.0659  0.2010  0.4060  1.0
  Na  Na3  3  0.0000  0.0000  0.0000  1.0
]