data_LiGaBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaBr2
_chemical_formula_sum   'Li1 Ga1 Br2'
_cell_volume   112.71
_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  Li3  1  0.0  0.0  0.56  1.0
  Ga  Ga2  1  0.44  0.0  0.62  1.0
  Br  Br0  1  0.44  0.0  0.17  1.0
  Br  Br1  1  0.0  0.0  0.13  1.0

data_LiGaBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaBr2
_chemical_formula_sum   'Li1 Ga1 Br2'
_cell_volume   112.71
_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  0.56  1.0
  Ga  Ga1  1  0.44  0.0  0.62  1.0
  Br  Br2  1  0.0  0.0  0.13  1.0
  Br  Br3  1  0.44  0.0  0.17  1.0

Li Ga Br Br
Li Ga Br Br 0 1 o o o 2 3 o o o 