data_LiGaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.41
_cell_length_c   2.61
_cell_angle_alpha   78.7
_cell_angle_beta   77.84
_cell_angle_gamma   23.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaFe
_chemical_formula_sum   'Li1 Ga1 Fe1'
_cell_volume   41.96
_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  0.81  0.88  0.19  1.0
  Ga  Ga1  1  0.81  0.88  0.17  1.0
  Fe  Fe0  1  0.81  0.88  0.24  1.0

data_LiGaFe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.61
_cell_length_b   12.3
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   LiGaFe
_chemical_formula_sum   'Li2 Ga2 Fe2'
_cell_volume   83.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.01  1.0
  Ga  Ga1  2  0.0  0.0  0.99  1.0
  Fe  Fe2  2  0.0  0.0  0.05  1.0

Li Ga Fe