data_[Sc2Si6Pd2]
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/m]
_cell_length_a [4.0760]
_cell_length_b [3.8456]
_cell_length_c [10.9621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ScSi3Pd]
_chemical_formula_sum '[Sc2 Si6 Pd2]'
_cell_volume [168.9510]
_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  0.3206  0.0000  0.1507  1.0
  Si  Si1  2  0.0452  0.0000  0.3969  1.0
  Si  Si2  2  0.2234  0.5000  0.9458  1.0
  Si  Si3  2  0.4368  0.5000  0.3906  1.0
  Pd  Pd4  2  0.1391  0.5000  0.7290  1.0
]