data_[Sc4Si4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6318]
_cell_length_b [5.2728]
_cell_length_c [7.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ScSiPd]
_chemical_formula_sum '[Sc4 Si4 Pd4]'
_cell_volume [202.7142]
_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  0.1954  0.1274  0.8741  1.0
  Si  Si1  4  0.1824  0.6321  0.0183  1.0
  Pd  Pd2  4  0.4047  0.5993  0.7938  1.0
]