data_LaSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   4.61
_cell_angle_alpha   108.1
_cell_angle_beta   108.1
_cell_angle_gamma   42.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSiSb2
_chemical_formula_sum   'La1 Si1 Sb2'
_cell_volume   104.48
_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  0.78  0.0  0.17  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.91  0.0  0.0  1.0
  Sb  Sb2  1  0.65  0.0  0.34  1.0

data_LaSiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.61
_cell_length_c   5.96
_cell_angle_alpha   108.1
_cell_angle_beta   111.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSiSb2
_chemical_formula_sum   'La1 Si1 Sb2'
_cell_volume   104.48
_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  0.17  0.78  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.91  1.0
  Sb  Sb3  1  0.0  0.34  0.65  1.0

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