data_[Na6La4Sc2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0733]
_cell_length_b [12.2607]
_cell_length_c [7.0628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3La2ScS6]
_chemical_formula_sum '[Na6 La4 Sc2 S12]'
_cell_volume [577.3070]
_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  0.1634  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  La  La2  4  0.0000  0.3331  0.0000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2309  0.1548  0.2285  1
  S  S5  4  0.2345  0.0000  0.7763  1
]