data_[K10Ba2]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7473]
_cell_length_b [23.3156]
_cell_length_c [4.7489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [K5Ba]
_chemical_formula_sum '[K10 Ba2]'
_cell_volume [857.8113]
_cell_formula_units_Z [2]
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  4  0.0000  0.1716  0.5000  1.0
  K  K1  4  0.0000  0.3427  0.0000  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba3  2  0.0000  0.0000  0.0000  1.0
]