data_Sc4In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   99.34
_cell_angle_beta   99.34
_cell_angle_gamma   132.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4In
_chemical_formula_sum   'Sc4 In1'
_cell_volume   117.68
_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
  Sc  Sc1  1  0.86  0.44  0.0  1.0
  Sc  Sc2  1  0.44  0.37  0.0  1.0
  Sc  Sc3  1  0.76  0.18  0.25  1.0
  Sc  Sc4  1  0.18  0.24  0.25  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Sc4In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   80.66
_cell_angle_beta   66.24
_cell_angle_gamma   66.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4In
_chemical_formula_sum   'Sc4 In1'
_cell_volume   117.68
_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
  Sc  Sc0  1  0.18  0.58  0.75  1.0
  Sc  Sc1  1  0.24  0.93  0.75  1.0
  Sc  Sc2  1  0.37  0.07  -0.0  1.0
  Sc  Sc3  1  0.44  0.42  -0.0  1.0
  In  In4  1  0.0  0.0  0.0  1.0

Sc Sc Sc Sc In