data_[Na4Sc4Sn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  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 [6.4728]
_cell_length_b [11.2757]
_cell_length_c [7.1267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sc2SnS6]
_chemical_formula_sum '[Na4 Sc4 Sn2 S12]'
_cell_volume [496.9264]
_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  0.1658  0.0000  1.0
  Sc  Sc1  4  0.0000  0.3318  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2357  0.1669  0.7130  1.0
  S  S4  4  0.2419  0.5000  0.7112  1.0
]