data_[Ac3Pr6Al3]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2582]
_cell_length_b [5.2582]
_cell_length_c [17.9576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcPr2Al]
_chemical_formula_sum '[Ac3 Pr6 Al3]'
_cell_volume [429.9858]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5081  1
  Pr  Pr1  3  0.0000  0.0000  0.7237  1
  Pr  Pr2  3  0.0000  0.0000  0.9545  1
  Al  Al3  3  0.0000  0.0000  0.3137  1
]