data_LaSc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   135.03
_cell_angle_beta   135.03
_cell_angle_gamma   65.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Sb
_chemical_formula_sum   'La1 Sc2 Sb1'
_cell_volume   104.6
_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  0.28  0.0  0.51  1.0
  Sc  Sc2  1  0.0  0.28  0.51  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.02  1.0

data_LaSc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.97
_cell_angle_alpha   112.48
_cell_angle_beta   112.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Sb
_chemical_formula_sum   'La1 Sc2 Sb1'
_cell_volume   104.6
_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  0.49  0.0  0.77  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.77  0.28  0.77  1.0
  Sb  Sb3  1  0.98  0.0  0.98  1.0

La Sc Sc Sb
La Sc Sc Sb 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 