data_[Ac28Pr4Y12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [20.1570]
_cell_length_b [7.2958]
_cell_length_c [12.3179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac7PrY3]
_chemical_formula_sum '[Ac28 Pr4 Y12]'
_cell_volume [1811.4890]
_cell_formula_units_Z [4]
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  16  0.1610  0.2458  0.5392  1
  Ac  Ac1  8  0.0912  0.2060  0.2500  1
  Ac  Ac2  4  0.0000  0.2910  0.7500  1
  Pr  Pr3  4  0.0000  0.5000  0.0000  1
  Y  Y4  8  0.2406  0.4850  0.2500  1
  Y  Y5  4  0.0000  0.0000  0.0000  1
]