data_[K2Rb1Ba2Sr4]
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
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4204]
_cell_length_b [4.4204]
_cell_length_c [33.9978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [K2Rb(BaSr2)2]
_chemical_formula_sum '[K2 Rb1 Ba2 Sr4]'
_cell_volume [575.3245]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.6765  1.0
  K  K1  1  0.6667  0.3333  0.5543  1.0
  K  K2  1  0.6667  0.3333  0.7983  1.0
  Ba  Ba3  1  0.0000  0.0000  0.0250  1.0
  Ba  Ba4  1  0.6667  0.3333  0.3393  1.0
  Sr  Sr5  1  0.0000  0.0000  0.2329  1.0
  Sr  Sr6  1  0.0000  0.0000  0.4432  1.0
  Sr  Sr7  1  0.6667  0.3333  0.1315  1.0
  Sr  Sr8  1  0.6667  0.3333  0.9218  1.0
]