data_[Ac12Tb9Tm3Se24]
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
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3163]
_cell_length_b [8.3163]
_cell_length_c [22.0822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac4Tb3TmSe8]
_chemical_formula_sum '[Ac12 Tb9 Tm3 Se24]'
_cell_volume [1322.6101]
_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  9  0.0000  0.5000  0.0000  1
  Tb  Tb1  9  0.0000  0.5000  0.5000  1
  Ac  Ac2  3  -0.0000  -0.0000  0.0000  1
  Tm  Tm3  3  0.0000  0.0000  0.5000  1
  Se  Se4  18  0.0038  0.5019  0.2393  1
  Se  Se5  6  0.0000  0.0000  0.2402  1
]