data_[Cs16Si8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [10.1047]
_cell_length_b [10.8886]
_cell_length_c [10.9789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs2SiP]
_chemical_formula_sum '[Cs16 Si8 P8]'
_cell_volume [1207.9692]
_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  0.1792  0.0000  0.0000  1.0
  Cs  Cs1  8  0.2500  0.2500  0.2500  1.0
  Si  Si2  8  0.0000  0.0000  0.3557  1.0
  P  P3  8  0.0000  0.1525  0.5000  1.0
]