data_[Cs1Na2P2S6]
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 [P-1]
_cell_length_a [7.0025]
_cell_length_b [7.1490]
_cell_length_c [7.5682]
_cell_angle_alpha [106.1294]
_cell_angle_beta [103.2364]
_cell_angle_gamma [108.6271]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNa2(PS3)2]
_chemical_formula_sum '[Cs1 Na2 P2 S6]'
_cell_volume [323.2041]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Na  Na1  2  0.2051  0.3507  0.7813  1
  P  P2  2  0.0679  0.1688  0.1217  1
  S  S3  2  0.0092  0.1225  0.3586  1
  S  S4  2  0.1162  0.6984  0.0066  1
  S  S5  2  0.3782  0.3090  0.1518  1
]