data_[Cs4Na2P4S12]
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 [C2/m]
_cell_length_a [12.8705]
_cell_length_b [7.2550]
_cell_length_c [8.2567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Na(PS3)2]
_chemical_formula_sum '[Cs4 Na2 P4 S12]'
_cell_volume [670.9199]
_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  4  0.2216  0.5000  0.2147  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.0461  0.0000  0.1931  1.0
  S  S3  8  0.0273  0.2350  0.7847  1.0
  S  S4  4  0.2211  0.0000  0.2839  1.0
]