data_[Ac1La3Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5901]
_cell_length_b [5.5901]
_cell_length_c [9.2140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AcLa3Pd8]
_chemical_formula_sum '[Ac1 La3 Pd8]'
_cell_volume [249.3560]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5666  1
  La  La1  1  0.0000  0.0000  0.9402  1
  La  La2  1  0.6667  0.3333  0.0607  1
  La  La3  1  0.6667  0.3333  0.4284  1
  Pd  Pd4  3  0.1661  0.3322  0.2482  1
  Pd  Pd5  3  0.5008  0.0017  0.7529  1
  Pd  Pd6  1  0.3333  0.6667  0.0006  1
  Pd  Pd7  1  0.3333  0.6667  0.5000  1
]