data_[Ac1Ce1Si2Pd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3280]
_cell_length_b [4.3280]
_cell_length_c [9.0892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AcCeSi2Pd5]
_chemical_formula_sum '[Ac1 Ce1 Si2 Pd5]'
_cell_volume [170.2543]
_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  0.5000  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Si  Si2  2  0.5000  0.5000  0.1301  1
  Pd  Pd3  4  0.0000  0.5000  0.2590  1
  Pd  Pd4  1  0.5000  0.5000  0.5000  1
]