data_[Cs4Na4P4S12]
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 [12.9397]
_cell_length_b [7.7241]
_cell_length_c [7.9638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNaPS3]
_chemical_formula_sum '[Cs4 Na4 P4 S12]'
_cell_volume [792.1035]
_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  0.1653  0.5000  0.8830  1.0
  Na  Na1  4  0.0000  0.2018  0.5000  1.0
  P  P2  4  0.0168  0.0000  0.1449  1.0
  S  S3  8  0.0981  0.2211  0.2075  1.0
  S  S4  4  0.1222  0.0000  0.7525  1.0
]