data_[Ac16Sm4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [14.1810]
_cell_length_b [7.4483]
_cell_length_c [10.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ac4SmRh3]
_chemical_formula_sum '[Ac16 Sm4 Rh12]'
_cell_volume [1064.3023]
_cell_formula_units_Z [4]
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  4  0.1036  0.1630  0.9539  1
  Ac  Ac1  4  0.1998  0.3310  0.6602  1
  Ac  Ac2  4  0.3001  0.1657  0.3746  1
  Ac  Ac3  4  0.3982  0.3268  0.0602  1
  Sm  Sm4  4  0.0061  0.3260  0.2618  1
  Rh  Rh5  4  0.0950  0.0097  0.1994  1
  Rh  Rh6  4  0.1967  0.4997  0.9085  1
  Rh  Rh7  4  0.3106  0.0003  0.6315  1
]