data_[Ac4Tb4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7936]
_cell_length_b [7.1009]
_cell_length_c [9.9702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcTbRu]
_chemical_formula_sum '[Ac4 Tb4 Ru4]'
_cell_volume [377.7796]
_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
[
  Tb  Tb0  4  0.1266  0.0755  0.8898  1
  Ac  Ac1  4  0.3415  0.5753  0.1091  1
  Ru  Ru2  4  0.1623  0.2365  0.1634  1
]