data_Na2BeZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.84
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   98.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeZn
_chemical_formula_sum   'Na2 Be1 Zn1'
_cell_volume   80.04
_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  0.41  0.92  0.45  1.0
  Na  Na2  1  0.06  0.0  0.37  1.0
  Be  Be0  1  0.6  0.0  0.15  1.0
  Zn  Zn3  1  0.95  0.92  0.65  1.0

data_Na2BeZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.84
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   98.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeZn
_chemical_formula_sum   'Na2 Be1 Zn1'
_cell_volume   80.04
_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  0.06  0.0  0.37  1.0
  Na  Na1  1  0.41  0.92  0.45  1.0
  Be  Be2  1  0.6  0.0  0.15  1.0
  Zn  Zn3  1  0.95  0.92  0.65  1.0

Na Na Be Zn
Na Na Be Zn 0 1 o + o 0 3 o o o 0 3 - o o 1 2 o o o 1 2 - o o 1 3 - - o 