data_[Ac4Si2P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8802]
_cell_length_b [5.8013]
_cell_length_c [7.7426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.2892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2SiPPd6]
_chemical_formula_sum '[Ac4 Si2 P2 Pd12]'
_cell_volume [413.0032]
_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
[
  Ac  Ac0  4  0.2481  0.5000  0.7145  1
  Si  Si1  2  0.0000  0.0000  0.5000  1
  P  P2  2  0.0000  0.5000  0.0000  1
  Pd  Pd3  8  0.0167  0.2501  0.7680  1
  Pd  Pd4  4  0.2495  0.5000  0.1489  1
]