data_[Ac36Th3Rh21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Th  1.3000  1.8000  1.0800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.3124]
_cell_length_b [15.3124]
_cell_length_c [10.5221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12ThRh7]
_chemical_formula_sum '[Ac36 Th3 Rh21]'
_cell_volume [2136.5896]
_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  18  0.0262  0.5860  0.6611  1
  Ac  Ac1  18  0.0471  0.1712  0.3270  1
  Th  Th2  3  0.0000  0.0000  0.0000  1
  Rh  Rh3  18  0.0466  0.1794  0.8393  1
  Rh  Rh4  3  0.0000  0.0000  0.5000  1
]