data_[Cs20Si4P12]
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 [Pnma]
_cell_length_a [14.3363]
_cell_length_b [6.0639]
_cell_length_c [15.7216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs5SiP3]
_chemical_formula_sum '[Cs20 Si4 P12]'
_cell_volume [1366.7419]
_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  4  0.0473  0.2500  0.3484  1
  Cs  Cs1  4  0.0623  0.2500  0.0488  1
  Cs  Cs2  4  0.1172  0.2500  0.8120  1
  Cs  Cs3  4  0.1461  0.7500  0.4497  1
  Cs  Cs4  4  0.2241  0.7500  0.7052  1
  Si  Si5  4  0.2395  0.7500  0.0642  1
  P  P6  4  0.1078  0.2500  0.5859  1
  P  P7  4  0.1378  0.7500  0.1710  1
  P  P8  4  0.1934  0.7500  0.9297  1
]