data_La2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.05
_cell_angle_alpha   91.3
_cell_angle_beta   91.3
_cell_angle_gamma   102.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GeSb
_chemical_formula_sum   'La2 Ge1 Sb1'
_cell_volume   112.76
_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  0.6  0.91  0.02  1.0
  La  La2  1  0.6  0.09  0.02  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.34  0.0  0.0  1.0

data_La2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   102.56
_cell_angle_beta   91.3
_cell_angle_gamma   91.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GeSb
_chemical_formula_sum   'La2 Ge1 Sb1'
_cell_volume   112.76
_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  La0  1  0.02  0.6  0.09  1.0
  La  La1  1  0.02  0.6  0.91  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.34  0.0  1.0

La La Ge Sb
La La Ge Sb 0 1 o + o 0 2 + + o 0 3 o + o 1 3 o o o 2 3 o o o 