data_[Cs24K12Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [22.2013]
_cell_length_b [21.3380]
_cell_length_c [7.2845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs6K3Se]
_chemical_formula_sum '[Cs24 K12 Se4]'
_cell_volume [3450.8857]
_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
[
  Cs  Cs0  8  0.1563  0.2437  0.2500  1
  Cs  Cs1  8  0.1629  0.4177  0.7500  1
  Cs  Cs2  4  0.0000  0.0899  0.2500  1
  Cs  Cs3  4  0.0000  0.2425  0.7500  1
  K  K4  8  0.1732  0.0720  0.7500  1
  K  K5  4  0.0000  0.4048  0.2500  1
  Se  Se6  4  0.0000  0.2546  0.2500  1
]