data_[Sc13In2]
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 [P-1]
_cell_length_a [6.2435]
_cell_length_b [7.9307]
_cell_length_c [8.1651]
_cell_angle_alpha [67.0271]
_cell_angle_beta [78.6057]
_cell_angle_gamma [82.4231]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sc13In2]
_chemical_formula_sum '[Sc13 In2]'
_cell_volume [364.2279]
_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  2  0.1213  0.4827  0.7517  1.0
  Sc  Sc1  2  0.2026  0.2213  0.1579  1.0
  Sc  Sc2  2  0.2614  0.9381  0.5840  1.0
  Sc  Sc3  2  0.3106  0.6576  0.9776  1.0
  Sc  Sc4  2  0.3767  0.4103  0.3889  1.0
  Sc  Sc5  2  0.4768  0.1463  0.7944  1.0
  Sc  Sc6  1  0.0000  0.0000  0.0000  1.0
  In  In7  2  0.0624  0.7639  0.3801  1.0
]