data_[Ac36Tb3In18]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3778]
_cell_length_b [12.3778]
_cell_length_c [16.0253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12TbIn6]
_chemical_formula_sum '[Ac36 Tb3 In18]'
_cell_volume [2126.3111]
_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  0.0324  0.8427  0.8129  1
  Ac  Ac1  18  0.0610  0.2174  0.4082  1
  Tb  Tb2  3  0.0000  0.0000  0.0000  1
  In  In3  18  0.0395  0.5965  0.7073  1
]