data_[Cs8K2P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [10.4741]
_cell_length_b [10.4741]
_cell_length_c [7.1092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Cs4KP4]
_chemical_formula_sum '[Cs8 K2 P8]'
_cell_volume [779.9268]
_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
[
  Cs  Cs0  8  0.0761  0.6971  0.3389  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  P  P2  8  0.1622  0.7611  0.8208  1.0
]