data_[Sc6Ga8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8336]
_cell_length_b [4.4090]
_cell_length_c [8.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(Ga2Pd)2]
_chemical_formula_sum '[Sc6 Ga8 Pd4]'
_cell_volume [317.9281]
_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  4  0.1617  0.5000  0.6715  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0838  0.0000  0.4149  1
  Ga  Ga3  4  0.1946  0.5000  0.0296  1
  Pd  Pd4  4  0.1110  0.5000  0.2767  1
]