data_LiMg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.83
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Ga
_chemical_formula_sum   'Li1 Mg2 Ga1'
_cell_volume   77.71
_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  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.64  0.92  0.58  1.0
  Mg  Mg3  1  0.64  0.92  0.62  1.0
  Ga  Ga0  1  0.0  0.0  0.1  1.0

data_LiMg2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.83
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Ga
_chemical_formula_sum   'Li1 Mg2 Ga1'
_cell_volume   77.71
_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
  Mg  Mg1  1  0.64  0.92  0.58  1.0
  Mg  Mg2  1  0.64  0.92  0.62  1.0
  Ga  Ga3  1  0.0  0.0  0.1  1.0

Li Mg Mg Ga
Li Mg Mg Ga 0 3 o o o 1 2 o o o 