data_LaScSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   100.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScSb2
_chemical_formula_sum   'La1 Sc1 Sb2'
_cell_volume   108.43
_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  0.34  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.85  0.67  1.0
  Sb  Sb2  1  0.85  0.0  0.67  1.0

data_LaScSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   8.06
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   129.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaScSb2
_chemical_formula_sum   'La2 Sc2 Sb4'
_cell_volume   216.86
_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  0.16  0.5  0.66  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.25  0.08  0.33  1.0

La Sc Sb Sb