data_[Na6Zr2Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8843]
_cell_length_b [11.9326]
_cell_length_c [6.9718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Zr(SnS3)2]
_chemical_formula_sum '[Na6 Zr2 Sn4 S12]'
_cell_volume [540.3289]
_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  4  0.0000  0.1712  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  4  0.0000  0.3342  0.0000  1.0
  S  S4  8  0.2309  0.1564  0.2230  1.0
  S  S5  4  0.2381  0.0000  0.7786  1.0
]