data_LiZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnGa2
_chemical_formula_sum   'Li1 Zn1 Ga2'
_cell_volume   65.02
_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  Li2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.77  0.0  0.0  1.0
  Ga  Ga0  1  0.39  0.96  0.44  1.0
  Ga  Ga1  1  0.39  0.04  0.44  1.0

data_LiZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   111.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnGa2
_chemical_formula_sum   'Li1 Zn1 Ga2'
_cell_volume   65.02
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.77  0.0  1.0
  Ga  Ga2  1  0.44  0.39  0.04  1.0
  Ga  Ga3  1  0.44  0.39  0.96  1.0

Li Zn Ga Ga
Li Zn Ga Ga 0 1 - o o 2 3 o + o 