data_NaAlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   4.17
_cell_angle_alpha   91.55
_cell_angle_beta   91.55
_cell_angle_gamma   27.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlSe2
_chemical_formula_sum   'Na1 Al1 Se2'
_cell_volume   105.41
_cell_formula_units_Z   1
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  Na1  1  0.1  0.0  0.51  1.0
  Al  Al0  1  0.14  0.0  1.0  1.0
  Se  Se2  1  0.35  0.0  0.08  1.0
  Se  Se3  1  0.65  0.0  0.66  1.0

data_NaAlSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.17
_cell_length_c   7.36
_cell_angle_alpha   91.55
_cell_angle_beta   103.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlSe2
_chemical_formula_sum   'Na1 Al1 Se2'
_cell_volume   105.41
_cell_formula_units_Z   1
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  0.0  0.51  0.1  1.0
  Al  Al1  1  0.0  1.0  0.14  1.0
  Se  Se2  1  0.0  0.08  0.35  1.0
  Se  Se3  1  0.0  0.66  0.65  1.0

Na Al Se Se