data_La2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   33.0
_cell_angle_beta   33.0
_cell_angle_gamma   33.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiSb
_chemical_formula_sum   'La2 Si1 Sb1'
_cell_volume   129.7
_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  0.0  0.0  0.7  1.0
  La  La1  1  0.0  0.0  0.66  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.18  1.0

data_La2SiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.76
_cell_length_b   4.48
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   109.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2SiSb
_chemical_formula_sum   'La4 Si2 Sb2'
_cell_volume   259.4
_cell_formula_units_Z   2
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  0.3  1.0
  La  La1  2  0.0  0.0  0.34  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.82  1.0

La La Si Sb
La La Si Sb 0 1 o o o 2 3 o o o 