data_Li2GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.92
_cell_angle_alpha   98.38
_cell_angle_beta   98.38
_cell_angle_gamma   36.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaBi
_chemical_formula_sum   'Li2 Ga1 Bi1'
_cell_volume   83.23
_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  0.41  0.0  0.75  1.0
  Li  Li3  1  0.48  0.0  0.24  1.0
  Ga  Ga1  1  0.98  0.0  0.81  1.0
  Bi  Bi0  1  0.69  0.0  0.34  1.0

data_Li2GaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.92
_cell_length_c   5.36
_cell_angle_alpha   98.38
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaBi
_chemical_formula_sum   'Li2 Ga1 Bi1'
_cell_volume   83.23
_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  0.24  0.48  1.0
  Li  Li1  1  0.0  0.75  0.41  1.0
  Ga  Ga2  1  0.0  0.81  0.98  1.0
  Bi  Bi3  1  0.0  0.34  0.69  1.0

Li Li Ga Bi
Li Li Ga Bi 0 2 - o o 0 3 o o o 0 1 o o o 0 1 o o + 1 3 o o o 2 3 o o o 