data_NaZnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnSe2
_chemical_formula_sum   'Na1 Zn1 Se2'
_cell_volume   88.18
_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  0.0  0.71  1.0
  Zn  Zn3  1  1.0  0.0  0.15  1.0
  Se  Se1  1  1.0  0.0  0.49  1.0
  Se  Se2  1  0.0  0.0  0.19  1.0

data_NaZnSe2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   4.26
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   NaZnSe2
_chemical_formula_sum   'Na2 Zn2 Se4'
_cell_volume   176.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  0.0  0.0  0.29  1.0
  Zn  Zn1  2  0.0  0.0  0.85  1.0
  Se  Se2  2  0.0  0.0  0.51  1.0
  Se  Se3  2  0.0  0.0  0.81  1.0

Na Zn Se Se