data_[Ac3Dy1Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Dy  1.2200  1.7500  1.1310
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0443]
_cell_length_b [5.0443]
_cell_length_c [19.8791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac3DyPb12]
_chemical_formula_sum '[Ac3 Dy1 Pb12]'
_cell_volume [505.8184]
_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  2  0.0000  0.0000  0.2440  1
  Ac  Ac1  1  0.0000  0.0000  0.5000  1
  Dy  Dy2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  4  0.0000  0.5000  0.1162  1
  Pb  Pb4  4  0.0000  0.5000  0.3721  1
  Pb  Pb5  2  0.5000  0.5000  0.2450  1
  Pb  Pb6  1  0.5000  0.5000  0.0000  1
  Pb  Pb7  1  0.5000  0.5000  0.5000  1
]