data_[K4Rb4Ba4]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [23.6234]
_cell_length_b [4.6771]
_cell_length_c [8.0601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [KRbBa]
_chemical_formula_sum '[K4 Rb4 Ba4]'
_cell_volume [890.5552]
_cell_formula_units_Z [4]
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  4  0.3281  0.0000  0.6150  1.0
  K  K1  2  0.0000  0.0000  0.6051  1.0
  K  K2  2  0.5000  0.0000  0.2884  1.0
  Ba  Ba3  4  0.1602  0.0000  0.2716  1.0
]