data_[Cs16P8H24]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.3355]
_cell_length_b [9.4856]
_cell_length_c [17.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs2PH3]
_chemical_formula_sum '[Cs16 P8 H24]'
_cell_volume [1355.2158]
_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  0.1974  0.0000  1
  Cs  Cs1  8  0.2500  0.2500  0.2500  1
  P  P2  8  0.0000  0.0000  0.3687  1
  H  H3  16  0.1245  0.0000  0.4270  1
  H  H4  8  0.0000  0.0000  0.1388  1
]