data_LaScIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   141.13
_cell_angle_beta   133.48
_cell_angle_gamma   62.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScIn2
_chemical_formula_sum   'La1 Sc1 In2'
_cell_volume   110.24
_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  La2  1  0.08  0.0  0.25  1.0
  Sc  Sc3  1  0.0  0.0  0.03  1.0
  In  In0  1  0.08  0.0  0.32  1.0
  In  In1  1  0.0  0.0  0.48  1.0

data_LaScIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.94
_cell_length_c   6.26
_cell_angle_alpha   113.26
_cell_angle_beta   109.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScIn2
_chemical_formula_sum   'La1 Sc1 In2'
_cell_volume   110.24
_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  0.83  0.75  0.83  1.0
  Sc  Sc1  1  0.97  0.97  0.97  1.0
  In  In2  1  0.52  0.52  0.52  1.0
  In  In3  1  0.76  0.68  0.76  1.0

La Sc In In