data_[Na6Mg4Sb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5343]
_cell_length_b [11.3240]
_cell_length_c [7.0188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Mg2SbS6]
_chemical_formula_sum '[Na6 Mg4 Sb2 S12]'
_cell_volume [493.5599]
_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  0.1645  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  4  0.0000  0.3332  0.0000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2325  0.1614  0.2146  1.0
  S  S5  4  0.2483  0.5000  0.2119  1.0
]