data_Li2CaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.21
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaGa
_chemical_formula_sum   'Li2 Ca1 Ga1'
_cell_volume   92.8
_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  0.18  0.0  0.04  1.0
  Li  Li3  1  0.2  0.11  0.09  1.0
  Ca  Ca0  1  0.34  0.0  0.42  1.0
  Ga  Ga1  1  0.01  0.11  1.0  1.0

data_Li2CaGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.21
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaGa
_chemical_formula_sum   'Li2 Ca1 Ga1'
_cell_volume   92.8
_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  0.18  0.0  0.04  1.0
  Li  Li1  1  0.2  0.11  0.09  1.0
  Ca  Ca2  1  0.34  0.0  0.42  1.0
  Ga  Ga3  1  0.01  0.11  1.0  1.0

Li Li Ca Ga
Li Li Ca Ga 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 o o - 