data_[Ac4Sm4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7900]
_cell_length_b [4.0666]
_cell_length_c [8.7402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcSmRu]
_chemical_formula_sum '[Ac4 Sm4 Ru4]'
_cell_volume [363.3715]
_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  0.0685  0.0000  0.8642  1
  Sm  Sm1  4  0.1913  0.5000  0.5941  1
  Ru  Ru2  4  0.1172  0.5000  0.2006  1
]