data_[Na2Mn4Al2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.7817]
_cell_length_b [7.1113]
_cell_length_c [6.8259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaMn2AlSe4]
_chemical_formula_sum '[Na2 Mn4 Al2 Se8]'
_cell_volume [426.2747]
_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  2  0.0000  0.8396  0.4926  1.0
  Mn  Mn1  4  0.2462  0.6705  0.9978  1.0
  Al  Al2  2  0.0000  0.1845  0.0008  1.0
  Se  Se3  4  0.2237  0.3346  0.8707  1.0
  Se  Se4  2  0.0000  0.2197  0.3532  1.0
  Se  Se5  2  0.0000  0.8527  0.9164  1.0
]