data_LaSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   9.14
_cell_length_c   9.14
_cell_angle_alpha   21.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2
_chemical_formula_sum   'La2 Sc4'
_cell_volume   169.5
_cell_formula_units_Z   2
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  0.73  0.0  0.02  1.0
  La  La1  1  0.73  0.0  0.94  1.0
  Sc  Sc2  1  0.73  0.0  0.98  1.0
  Sc  Sc3  1  0.0  0.0  0.02  1.0
  Sc  Sc4  1  0.0  0.0  0.86  1.0
  Sc  Sc5  1  0.0  0.0  0.05  1.0

data_LaSc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.46
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2
_chemical_formula_sum   'La2 Sc4'
_cell_volume   169.5
_cell_formula_units_Z   2
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  0.06  0.73  0.06  1.0
  La  La1  1  0.98  0.73  0.98  1.0
  Sc  Sc2  1  0.02  0.73  0.02  1.0
  Sc  Sc3  1  0.14  0.0  0.14  1.0
  Sc  Sc4  1  0.95  0.0  0.95  1.0
  Sc  Sc5  1  0.98  0.0  0.98  1.0

La La Sc Sc Sc Sc