data_LaSc2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.41
_cell_angle_alpha   104.4
_cell_angle_beta   104.4
_cell_angle_gamma   33.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2In
_chemical_formula_sum   'La1 Sc2 In1'
_cell_volume   105.75
_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  La1  1  0.41  0.0  0.29  1.0
  Sc  Sc2  1  0.98  0.0  0.2  1.0
  Sc  Sc3  1  0.73  0.0  0.85  1.0
  In  In0  1  0.17  0.0  0.72  1.0

data_LaSc2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.41
_cell_length_c   6.02
_cell_angle_alpha   104.4
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2In
_chemical_formula_sum   'La1 Sc2 In1'
_cell_volume   105.75
_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  0.29  0.41  1.0
  Sc  Sc1  1  0.0  0.2  0.98  1.0
  Sc  Sc2  1  0.0  0.85  0.73  1.0
  In  In3  1  0.0  0.72  0.17  1.0

La Sc Sc In
La Sc Sc In 0 3 o o - 0 3 o o o 0 1 - o o 0 2 o o o 1 2 o o - 1 3 + o o 1 3 + o - 2 3 + o o 2 3 o o o 3 3 + - o 