data_[Ac1P1Pd1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2535]
_cell_length_b [4.2535]
_cell_length_c [4.7264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [AcPPdO]
_chemical_formula_sum '[Ac1 P1 Pd1 O1]'
_cell_volume [74.0562]
_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  0.3333  0.6667  0.0000  1
  P  P1  1  0.6667  0.3333  0.5000  1
  Pd  Pd2  1  0.0000  0.0000  0.5000  1
  O  O3  1  0.0000  0.0000  0.0000  1
]