data_[Sc8In4Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.5280]
_cell_length_b [7.5280]
_cell_length_c [6.8712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sc2InPd2]
_chemical_formula_sum '[Sc8 In4 Pd8]'
_cell_volume [389.3987]
_cell_formula_units_Z [4]
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  4  0.1587  0.1587  0.0000  1.0
  Sc  Sc1  4  0.1860  0.1860  0.5000  1.0
  In  In2  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd3  8  0.1284  0.8716  0.2772  1.0
]