data_[Ac12Rh6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1669]
_cell_length_b [4.2787]
_cell_length_c [14.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6Rh3N]
_chemical_formula_sum '[Ac12 Rh6 N2]'
_cell_volume [623.6041]
_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  0.1301  0.7500  0.2499  1
  Ac  Ac1  2  0.1432  0.2500  0.4843  1
  Ac  Ac2  2  0.1601  0.7500  0.9660  1
  Ac  Ac3  2  0.1871  0.7500  0.7078  1
  Ac  Ac4  2  0.4466  0.2500  0.1212  1
  Ac  Ac5  2  0.4979  0.2500  0.6270  1
  Rh  Rh6  2  0.1279  0.2500  0.1102  1
  Rh  Rh7  2  0.3316  0.7500  0.5341  1
  Rh  Rh8  2  0.3730  0.2500  0.8289  1
  N  N9  2  0.0510  0.2500  0.6404  1
]