data_[Sc10In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0842]
_cell_length_b [3.3521]
_cell_length_c [16.9310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sc5In]
_chemical_formula_sum '[Sc10 In2]'
_cell_volume [288.5497]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.3293  1.0
  Sc  Sc1  2  0.0000  0.0000  0.6641  1.0
  Sc  Sc2  2  0.5000  0.0000  0.1124  1.0
  Sc  Sc3  2  0.5000  0.0000  0.4507  1.0
  Sc  Sc4  2  0.5000  0.0000  0.7755  1.0
  In  In5  2  0.0000  0.0000  0.0013  1.0
]