data_[Cs2Na2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9185]
_cell_length_b [6.2978]
_cell_length_c [10.0720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNaPS4]
_chemical_formula_sum '[Cs2 Na2 P2 S8]'
_cell_volume [420.9568]
_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  2  0.2402  0.7500  0.0339  1.0
  Na  Na1  2  0.1988  0.7500  0.5712  1.0
  P  P2  2  0.2460  0.2500  0.3136  1.0
  S  S3  4  0.0526  0.5034  0.2966  1.0
  S  S4  2  0.3973  0.2500  0.1681  1.0
  S  S5  2  0.4496  0.2500  0.5089  1.0
]