data_Li2ZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.62
_cell_angle_alpha   99.19
_cell_angle_beta   99.19
_cell_angle_gamma   118.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZnCu
_chemical_formula_sum   'Li2 Zn1 Cu1'
_cell_volume   56.22
_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  Li1  1  0.89  0.17  0.25  1.0
  Li  Li2  1  0.89  0.83  0.25  1.0
  Zn  Zn3  1  0.6  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Li2ZnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.04
_cell_length_c   5.06
_cell_angle_alpha   116.55
_cell_angle_beta   99.19
_cell_angle_gamma   101.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZnCu
_chemical_formula_sum   'Li2 Zn1 Cu1'
_cell_volume   56.22
_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  0.08  0.83  0.72  1.0
  Li  Li1  1  0.42  0.17  0.06  1.0
  Zn  Zn2  1  0.0  0.0  0.6  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Li Li Zn Cu