data_[Na4Ac6Mg2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6272]
_cell_length_b [13.1775]
_cell_length_c [7.3465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ac3MgSe6]
_chemical_formula_sum '[Na4 Ac6 Mg2 Se12]'
_cell_volume [693.0165]
_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  0.3352  0.0000  1
  Ac  Ac1  4  0.0000  0.1712  0.5000  1
  Ac  Ac2  2  0.0000  0.5000  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2351  0.1585  0.2302  1
  Se  Se5  4  0.2377  0.0000  0.7611  1
]