data_[Ac4Pr5Y1]
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 [P4/mmm]
_cell_length_a [3.8553]
_cell_length_b [3.8553]
_cell_length_c [26.4061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac4Pr5Y]
_chemical_formula_sum '[Ac4 Pr5 Y1]'
_cell_volume [392.4819]
_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  0.1942  1
  Ac  Ac1  2  0.0000  0.0000  0.3981  1
  Pr  Pr2  2  0.5000  0.5000  0.0921  1
  Pr  Pr3  2  0.5000  0.5000  0.2963  1
  Pr  Pr4  1  0.5000  0.5000  0.5000  1
  Y  Y5  1  0.0000  0.0000  0.0000  1
]