data_[Ac2Pr4Sm12]
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 [C2/m]
_cell_length_a [10.4756]
_cell_length_b [7.2093]
_cell_length_c [9.1424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(PrSm3)2]
_chemical_formula_sum '[Ac2 Pr4 Sm12]'
_cell_volume [645.6075]
_cell_formula_units_Z [2]
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  0.5000  0.5000  1
  Pr  Pr1  4  0.2209  0.5000  0.9748  1
  Sm  Sm2  8  0.0669  0.2293  0.2038  1
  Sm  Sm3  4  0.1574  0.0000  0.5958  1
]