data_[Na8Sn2Ge4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9522]
_cell_length_b [11.9370]
_cell_length_c [7.7671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na4Sn(GeS3)2]
_chemical_formula_sum '[Na8 Sn2 Ge4 S12]'
_cell_volume [616.6059]
_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
[
  Na  Na0  2  0.0000  0.3322  0.5000  1.0
  Na  Na1  2  0.0000  0.4978  0.0000  1.0
  Na  Na2  2  0.0000  0.6684  0.5000  1.0
  Na  Na3  2  0.0000  0.8256  0.0000  1.0
  Sn  Sn4  2  0.0000  0.1703  0.0000  1.0
  Ge  Ge5  4  0.0595  0.9988  0.6636  1.0
  S  S6  4  0.2146  0.0058  0.2352  1.0
  S  S7  4  0.2407  0.8434  0.7504  1.0
  S  S8  4  0.2425  0.1548  0.7541  1.0
]