data_La2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.97
_cell_angle_alpha   91.26
_cell_angle_beta   91.26
_cell_angle_gamma   96.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeSb
_chemical_formula_sum   'La2 Fe1 Sb1'
_cell_volume   104.45
_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  0.65  0.91  0.98  1.0
  La  La2  1  0.65  0.09  0.98  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.44  0.0  0.0  1.0

data_La2FeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   96.22
_cell_angle_beta   91.26
_cell_angle_gamma   91.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeSb
_chemical_formula_sum   'La2 Fe1 Sb1'
_cell_volume   104.45
_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  0.98  0.65  0.09  1.0
  La  La1  1  0.98  0.65  0.91  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  -0.0  0.44  0.0  1.0

La La Fe Sb