data_[K3Ba6Ce9Se24]
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
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.8783]
_cell_length_b [8.8783]
_cell_length_c [23.0875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KBa2Ce3Se8]
_chemical_formula_sum '[K3 Ba6 Ce9 Se24]'
_cell_volume [1576.0208]
_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  0.8717  1.0
  Ba  Ba1  3  0.0000  0.0000  0.1242  1.0
  Ba  Ba2  3  0.0000  0.0000  0.5011  1.0
  Ce  Ce3  9  0.1687  0.3374  0.3321  1.0
  Se  Se4  9  0.0332  0.5166  0.2669  1.0
  Se  Se5  9  0.1842  0.3685  0.0673  1.0
  Se  Se6  3  0.0000  0.0000  0.2664  1.0
  Se  Se7  3  0.0000  0.0000  0.7305  1.0
]