data_LaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   6.57
_cell_angle_alpha   114.28
_cell_angle_beta   114.28
_cell_angle_gamma   33.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb
_chemical_formula_sum   'La3 Sb3'
_cell_volume   208.61
_cell_formula_units_Z   3
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  0.71  0.0  0.96  1.0
  La  La1  1  0.7  0.0  0.98  1.0
  La  La2  1  0.59  0.0  0.97  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Sb  Sb4  1  0.26  0.0  0.88  1.0
  Sb  Sb5  1  0.14  0.0  0.05  1.0

data_LaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   6.57
_cell_length_c   7.96
_cell_angle_alpha   114.28
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb
_chemical_formula_sum   'La3 Sb3'
_cell_volume   208.61
_cell_formula_units_Z   3
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  0.96  0.71  1.0
  La  La1  1  0.0  0.97  0.59  1.0
  La  La2  1  0.0  0.98  0.7  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Sb  Sb4  1  0.0  0.05  0.14  1.0
  Sb  Sb5  1  0.0  0.88  0.26  1.0

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