data_[Cs4Na4Ge4S12]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2132]
_cell_length_b [9.8830]
_cell_length_c [9.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNaGeS3]
_chemical_formula_sum '[Cs4 Na4 Ge4 S12]'
_cell_volume [858.3157]
_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  0.2110  0.0000  0.1336  1
  Na  Na1  4  0.0000  0.2848  0.5000  1
  Ge  Ge2  4  0.1714  0.0000  0.6928  1
  S  S3  8  0.1024  0.1845  0.7800  1
  S  S4  4  0.2095  0.5000  0.4853  1
]