data_LaSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.78
_cell_length_b   10.78
_cell_length_c   10.78
_cell_angle_alpha   154.67
_cell_angle_beta   154.67
_cell_angle_gamma   36.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb3
_chemical_formula_sum   'La2 Sb6'
_cell_volume   228.7
_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  0.0  0.73  1.0
  La  La1  1  0.0  0.0  0.76  1.0
  Sb  Sb2  1  0.0  0.36  0.0  1.0
  Sb  Sb3  1  0.36  0.0  0.0  1.0
  Sb  Sb4  1  0.36  0.0  0.12  1.0
  Sb  Sb5  1  0.0  0.36  0.12  1.0
  Sb  Sb6  1  0.0  0.0  0.1  1.0
  Sb  Sb7  1  0.0  0.0  0.39  1.0

data_LaSb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   108.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaSb3
_chemical_formula_sum   'La4 Sb12'
_cell_volume   457.4
_cell_formula_units_Z   4
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  0.24  1.0
  La  La1  2  0.0  0.0  0.27  1.0
  Sb  Sb2  4  0.18  0.18  0.24  1.0
  Sb  Sb3  4  0.18  0.18  0.36  1.0
  Sb  Sb4  2  0.0  0.0  0.61  1.0
  Sb  Sb5  2  0.0  0.0  0.9  1.0

La La Sb Sb Sb Sb Sb Sb
La La Sb Sb Sb Sb Sb Sb 0 1 o o o 0 7 o o o 1 6 o o + 1 7 o o o 2 5 o o o 2 7 o o - 2 7 o + o 3 4 o o o 3 7 + o o 3 7 o o - 4 6 o o o 5 6 o o o 6 7 o o o 