data_[Na6Sr4Nb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0860]
_cell_length_b [12.3007]
_cell_length_c [7.0096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Sr2NbS6]
_chemical_formula_sum '[Na6 Sr4 Nb2 S12]'
_cell_volume [574.2827]
_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  0.1621  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr2  4  0.0000  0.3324  0.0000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2201  0.1442  0.2281  1.0
  S  S5  4  0.2138  0.0000  0.7809  1.0
]