data_NaLiZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.56
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   96.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiZn2
_chemical_formula_sum   'Na1 Li1 Zn2'
_cell_volume   75.88
_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  0.32  0.28  0.42  1.0
  Li  Li0  1  0.05  0.0  0.51  1.0
  Zn  Zn2  1  0.51  0.0  0.18  1.0
  Zn  Zn3  1  0.35  0.28  0.5  1.0

data_NaLiZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.56
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   96.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiZn2
_chemical_formula_sum   'Na1 Li1 Zn2'
_cell_volume   75.88
_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  0.32  0.28  0.42  1.0
  Li  Li1  1  0.05  0.0  0.51  1.0
  Zn  Zn2  1  0.35  0.28  0.5  1.0
  Zn  Zn3  1  0.51  0.0  0.18  1.0

Na Li Zn Zn
Na Li Zn Zn 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 1 2 - o o 2 3 o o o 