data_Na2ZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   4.81
_cell_angle_alpha   106.34
_cell_angle_beta   106.34
_cell_angle_gamma   37.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnSe
_chemical_formula_sum   'Na2 Zn1 Se1'
_cell_volume   98.0
_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  0.19  0.0  0.15  1.0
  Na  Na1  1  0.41  0.0  0.18  1.0
  Zn  Zn3  1  0.63  0.0  0.22  1.0
  Se  Se2  1  0.54  0.0  0.33  1.0

data_Na2ZnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.81
_cell_length_c   5.95
_cell_angle_alpha   106.34
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnSe
_chemical_formula_sum   'Na2 Zn1 Se1'
_cell_volume   98.0
_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  0.15  0.19  1.0
  Na  Na1  1  0.0  0.18  0.41  1.0
  Zn  Zn2  1  0.0  0.22  0.63  1.0
  Se  Se3  1  0.0  0.33  0.54  1.0

Na Na Zn Se