data_Na2ScIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   5.37
_cell_angle_alpha   96.46
_cell_angle_beta   96.46
_cell_angle_gamma   31.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScIn
_chemical_formula_sum   'Na2 Sc1 In1'
_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
  Na  Na1  1  0.74  0.0  0.35  1.0
  Na  Na2  1  0.45  0.0  0.98  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.6  0.0  0.67  1.0

data_Na2ScIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.37
_cell_length_c   6.14
_cell_angle_alpha   96.46
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScIn
_chemical_formula_sum   'Na2 Sc1 In1'
_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
  Na  Na0  1  0.0  0.35  0.74  1.0
  Na  Na1  1  0.0  0.98  0.45  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.67  0.6  1.0

Na Na Sc In