data_[K3Ba18Sr36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7181]
_cell_length_b [14.7181]
_cell_length_c [18.2334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K(BaSr2)6]
_chemical_formula_sum '[K3 Ba18 Sr36]'
_cell_volume [3420.6005]
_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
[
  K  K0  3  0.0000  0.0000  0.0000  1
  Ba  Ba1  18  0.0273  0.5905  0.7055  1
  Sr  Sr2  18  0.0358  0.8499  0.8082  1
  Sr  Sr3  18  0.0628  0.2133  0.4130  1
]