data_LiGa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   144.23
_cell_angle_beta   132.89
_cell_angle_gamma   60.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Fe
_chemical_formula_sum   'Li1 Ga2 Fe1'
_cell_volume   51.78
_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  Li3  1  0.0  0.0  0.21  1.0
  Ga  Ga1  1  0.0  0.0  0.11  1.0
  Ga  Ga2  1  0.0  0.98  0.16  1.0
  Fe  Fe0  1  0.52  0.0  0.09  1.0

data_LiGa2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.97
_cell_length_c   4.96
_cell_angle_alpha   113.56
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Fe
_chemical_formula_sum   'Li1 Ga2 Fe1'
_cell_volume   51.78
_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  0.21  0.21  1.0
  Ga  Ga1  1  0.0  0.11  0.11  1.0
  Ga  Ga2  1  0.02  0.18  0.18  1.0
  Fe  Fe3  1  0.0  0.09  0.56  1.0

Li Ga Ga Fe