data_[Ac12Pr20Sm4]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.2810]
_cell_length_b [9.2810]
_cell_length_c [16.3350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ac3Pr5Sm]
_chemical_formula_sum '[Ac12 Pr20 Sm4]'
_cell_volume [1407.0370]
_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  8  0.1263  0.6263  0.5000  1
  Ac  Ac1  4  0.0000  0.0000  0.2500  1
  Pr  Pr2  16  0.2006  0.2994  0.3579  1
  Pr  Pr3  4  0.0000  0.0000  0.0000  1
  Sm  Sm4  4  0.0000  0.5000  0.2500  1
]