data_[Ac5Pr4Y2]
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 [P2/m]
_cell_length_a [9.4327]
_cell_length_b [3.7096]
_cell_length_c [12.6229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac5(Pr2Y)2]
_chemical_formula_sum '[Ac5 Pr4 Y2]'
_cell_volume [441.4713]
_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  0.1974  0.0000  0.0261  1
  Ac  Ac1  2  0.2840  0.0000  0.3182  1
  Ac  Ac2  1  0.0000  0.0000  0.5000  1
  Pr  Pr3  2  0.0769  0.5000  0.7665  1
  Pr  Pr4  2  0.4622  0.5000  0.8543  1
  Y  Y5  2  0.3500  0.0000  0.6168  1
]