data_NaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSe
_chemical_formula_sum   'Na4 Se4'
_cell_volume   207.16
_cell_formula_units_Z   4
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  0.0  0.39  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.36  0.36  0.09  1.0
  Na  Na3  1  0.0  0.72  0.7  1.0
  Se  Se4  1  0.36  0.36  0.46  1.0
  Se  Se5  1  0.0  0.72  0.85  1.0
  Se  Se6  1  0.0  0.72  0.32  1.0
  Se  Se7  1  0.36  0.36  0.93  1.0

data_NaSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSe
_chemical_formula_sum   'Na4 Se4'
_cell_volume   207.16
_cell_formula_units_Z   4
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  0.0  0.0  1.0
  Na  Na1  1  0.0  0.0  0.39  1.0
  Na  Na2  1  0.0  0.72  0.7  1.0
  Na  Na3  1  0.36  0.36  0.09  1.0
  Se  Se4  1  0.0  0.72  0.32  1.0
  Se  Se5  1  0.0  0.72  0.85  1.0
  Se  Se6  1  0.36  0.36  0.46  1.0
  Se  Se7  1  0.36  0.36  0.93  1.0

Na Na Na Na Se Se Se Se