data_La2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaSb
_chemical_formula_sum   'La2 Ga1 Sb1'
_cell_volume   133.72
_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
  La  La1  1  0.28  0.28  0.61  1.0
  La  La2  1  0.0  0.0  0.4  1.0
  Ga  Ga0  1  0.0  0.0  0.67  1.0
  Sb  Sb3  1  0.28  0.28  0.41  1.0

data_La2GaSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2GaSb
_chemical_formula_sum   'La4 Ga2 Sb2'
_cell_volume   267.44
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.4  1.0
  La  La1  2  0.28  0.0  0.61  1.0
  Ga  Ga2  2  0.0  0.0  0.67  1.0
  Sb  Sb3  2  0.28  0.0  0.41  1.0

La La Ga Sb
La La Ga Sb 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 