data_[Sc9Ga18Pd3]
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 [R3m]
_cell_length_a [11.0619]
_cell_length_b [11.0619]
_cell_length_c [5.6860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc3Ga6Pd]
_chemical_formula_sum '[Sc9 Ga18 Pd3]'
_cell_volume [602.5587]
_cell_formula_units_Z [3]
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  9  0.0127  0.5064  0.1702  1
  Ga  Ga1  9  0.0810  0.1619  0.9207  1
  Ga  Ga2  9  0.2072  0.4144  0.0357  1
  Pd  Pd3  3  0.0000  0.0000  0.2813  1
]