data_LaSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   111.71
_cell_angle_beta   111.71
_cell_angle_gamma   41.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSi2Sb
_chemical_formula_sum   'La1 Si2 Sb1'
_cell_volume   96.8
_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  1.0  0.0  0.49  1.0
  Si  Si2  1  0.18  0.0  0.68  1.0
  Si  Si3  1  0.81  0.0  0.3  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0

data_LaSi2Sb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.83
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   111.71
_cell_angle_beta   90.0
_cell_angle_gamma   110.71
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaSi2Sb
_chemical_formula_sum   'La1 Si2 Sb1'
_cell_volume   96.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  1.0
  Si  Si1  2  0.0  0.18  0.68  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

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