data_[Cs8K4Al4P8]
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
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.6356]
_cell_length_b [16.0341]
_cell_length_c [6.5919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2KAlP2]
_chemical_formula_sum '[Cs8 K4 Al4 P8]'
_cell_volume [807.0504]
_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  0.2269  0.3250  0.5000  1
  K  K1  4  0.0000  0.0000  0.2500  1
  Al  Al2  4  0.0000  0.5000  0.2500  1
  P  P3  8  0.1747  0.4210  0.0000  1
]