data_La2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   8.21
_cell_angle_alpha   149.11
_cell_angle_beta   132.31
_cell_angle_gamma   57.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Sb
_chemical_formula_sum   'La4 Sb2'
_cell_volume   208.84
_cell_formula_units_Z   2
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  0.0  0.32  0.38  1.0
  La  La1  1  0.0  0.78  0.0  1.0
  La  La2  1  0.0  0.86  0.0  1.0
  La  La3  1  0.19  0.0  0.81  1.0
  Sb  Sb4  1  0.0  0.0  0.2  1.0
  Sb  Sb5  1  0.0  0.0  0.18  1.0

data_La2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   6.64
_cell_length_c   8.21
_cell_angle_alpha   113.85
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Sb
_chemical_formula_sum   'La4 Sb2'
_cell_volume   208.84
_cell_formula_units_Z   2
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  0.0  0.78  0.78  1.0
  La  La1  1  0.0  0.86  0.86  1.0
  La  La2  1  0.38  0.19  0.38  1.0
  La  La3  1  0.62  0.94  0.94  1.0
  Sb  Sb4  1  0.8  0.8  0.8  1.0
  Sb  Sb5  1  0.82  0.82  0.82  1.0

La La La La Sb Sb
La La La La Sb Sb 0 5 o o o 0 4 o o o 0 3 o + o 0 3 o o - 1 2 o o o 1 3 o + o 1 3 o + - 1 3 o o - 2 5 o + o 2 3 o + o 2 3 o + - 3 5 o o o 3 5 o o + 3 4 o o o 3 4 o o + 3 3 o + + 4 5 o o o 