data_[Ac3Sc6Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9339]
_cell_length_b [3.9339]
_cell_length_c [25.6145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcSc2Pd]
_chemical_formula_sum '[Ac3 Sc6 Pd3]'
_cell_volume [343.2961]
_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
[
  Ac  Ac0  3  0.0000  0.0000  0.4990  1
  Sc  Sc1  3  0.0000  0.0000  0.7214  1
  Sc  Sc2  3  0.0000  0.0000  0.9459  1
  Pd  Pd3  3  0.0000  0.0000  0.3337  1
]