[CIF]
data_NaAlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65442031
_cell_length_b   7.65442031
_cell_length_c   14.30893162
_cell_angle_alpha   97.73351961
_cell_angle_beta   97.73351961
_cell_angle_gamma   90.00570577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlSe2
_chemical_formula_sum   'Na8 Al8 Se16'
_cell_volume   823.03985873
_cell_formula_units_Z   8
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  1  4.72008129  -3.38325230  1.67511150  1
  Na  Na1  1  4.74276671  -3.38325230  5.34859350  1
  Na  Na2  1  3.38116871  3.38325230  12.37229850  1
  Na  Na3  1  3.35848329  3.38325230  8.69881650  1
  Na  Na4  1  2.02444419  -0.66690099  5.23597541  1
  Na  Na5  1  7.43840381  -0.66690099  1.78772959  1
  Na  Na6  1  6.07680581  0.66690099  8.81143459  1
  Na  Na7  1  0.66284619  0.66690099  12.25968041  1
  Al  Al8  1  6.06588295  3.36589899  2.13264969  1
  Al  Al9  1  3.39696505  3.36589899  4.89105531  1
  Al  Al10  1  2.03536705  -3.36589899  11.91476031  1
  Al  Al11  1  4.70428495  -3.36589899  9.15635469  1
  Al  Al12  1  6.06528302  0.69619486  4.89326075  1
  Al  Al13  1  3.39756498  0.69619486  2.13044425  1
  Al  Al14  1  2.03596698  -0.69619486  9.15414925  1
  Al  Al15  1  4.70368502  -0.69619486  11.91696575  1
  Se  Se16  1  4.73142400  4.82840021  3.51185250  1
  Se  Se17  1  3.36982600  -4.82840021  10.53555750  1
  Se  Se18  1  4.73142400  -0.76134828  3.51185250  1
  Se  Se19  1  3.36982600  0.76134828  10.53555750  1
  Se  Se20  1  2.03048363  -0.67995116  0.70404214  1
  Se  Se21  1  7.43236437  -0.67995116  6.31966286  1
  Se  Se22  1  6.07076637  0.67995116  13.34336786  1
  Se  Se23  1  0.66888563  0.67995116  7.72774714  1
  Se  Se24  1  7.52508936  2.03223773  3.51380509  1
  Se  Se25  1  1.93775864  2.03223773  3.50989991  1
  Se  Se26  1  0.57616064  -2.03223773  10.53360491  1
  Se  Se27  1  6.16349136  -2.03223773  10.53751009  1
  Se  Se28  1  4.73400677  2.03334193  6.37232660  1
  Se  Se29  1  4.72884123  2.03334193  0.65137840  1
  Se  Se30  1  3.36724323  -2.03334193  7.67508340  1
  Se  Se31  1  3.37240877  -2.03334193  13.39603160  1
[/CIF]
