data_Li2MnZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.38
_cell_length_b   4.34
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   97.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnZn
_chemical_formula_sum   'Li2 Mn1 Zn1'
_cell_volume   52.32
_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
  Li  Li0  1  0.35  0.0  0.08  1.0
  Li  Li1  1  0.63  0.17  0.24  1.0
  Mn  Mn2  1  0.02  0.0  0.67  1.0
  Zn  Zn3  1  1.0  0.17  0.61  1.0

data_Li2MnZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.38
_cell_length_b   4.34
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   97.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnZn
_chemical_formula_sum   'Li2 Mn1 Zn1'
_cell_volume   52.32
_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
  Li  Li0  1  0.35  0.0  0.08  1.0
  Li  Li1  1  0.63  0.17  0.24  1.0
  Mn  Mn2  1  0.02  0.0  0.67  1.0
  Zn  Zn3  1  1.0  0.17  0.61  1.0

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