data_NaBeZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeZn2
_chemical_formula_sum   'Na1 Be1 Zn2'
_cell_volume   63.14
_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  0.84  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.42  0.86  0.3  1.0
  Zn  Zn3  1  0.42  0.14  0.3  1.0

data_NaBeZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   112.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeZn2
_chemical_formula_sum   'Na1 Be1 Zn2'
_cell_volume   63.14
_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  0.84  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.3  0.42  0.86  1.0
  Zn  Zn3  1  0.3  0.42  0.14  1.0

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