data_[Ac3La18Pm36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.7860]
_cell_length_b [13.7860]
_cell_length_c [12.8104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac(LaPm2)6]
_chemical_formula_sum '[Ac3 La18 Pm36]'
_cell_volume [2108.4938]
_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
[
  La  La0  18  0.0360  0.5180  0.6158  1
  Ac  Ac1  3  0.0000  0.0000  0.0000  1
  Pm  Pm2  18  0.0000  0.2562  0.5000  1
  Pm  Pm3  18  0.0918  0.1836  0.2630  1
]