data_[Ac3Pr21Sm36]
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 [R-3]
_cell_length_a [12.4024]
_cell_length_b [12.4024]
_cell_length_c [16.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [AcPr7Sm12]
_chemical_formula_sum '[Ac3 Pr21 Sm36]'
_cell_volume [2153.1326]
_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  0.0000  1
  Pr  Pr1  18  0.0499  0.1889  0.7941  1
  Pr  Pr2  3  -0.0000  0.0000  0.5000  1
  Sm  Sm3  18  0.0115  0.4394  0.7187  1
  Sm  Sm4  18  0.0505  0.5905  0.0836  1
]