data_[Ac2Pd2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4692]
_cell_length_b [4.7474]
_cell_length_c [6.8151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcPdPb]
_chemical_formula_sum '[Ac2 Pd2 Pb2]'
_cell_volume [172.8441]
_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  2  0.0905  0.7500  0.2562  1
  Pd  Pd1  2  0.3588  0.2500  0.5328  1
  Pb  Pb2  2  0.4070  0.7500  0.8157  1
]