data_[Na6Mg4Sb2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8773]
_cell_length_b [11.9184]
_cell_length_c [7.3978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Mg2SbSe6]
_chemical_formula_sum '[Na6 Mg4 Sb2 Se12]'
_cell_volume [576.5856]
_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  0.1617  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  4  0.0000  0.3328  0.0000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2345  0.8373  0.2171  1.0
  Se  Se5  4  0.2452  0.5000  0.2137  1.0
]