data_[Cs16P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.5747]
_cell_length_b [10.1622]
_cell_length_c [15.3356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs2P3]
_chemical_formula_sum '[Cs16 P24]'
_cell_volume [1492.1580]
_cell_formula_units_Z [8]
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  0.0000  0.2182  0.5000  1.0
  Cs  Cs1  8  0.2500  0.2500  0.2500  1.0
  P  P2  16  0.1958  0.0000  0.0707  1.0
  P  P3  8  0.0000  0.0000  0.1421  1.0
]