data_[Ac24Sn3Te9Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2284]
_cell_length_b [9.2284]
_cell_length_c [22.6926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac8SnTe3Se4]
_chemical_formula_sum '[Ac24 Sn3 Te9 Se12]'
_cell_volume [1673.6495]
_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  0.0069  0.5034  0.7560  1
  Ac  Ac1  6  0.0000  0.0000  0.2420  1
  Sn  Sn2  3  -0.0000  -0.0000  0.0000  1
  Te  Te3  9  0.0000  0.5000  0.0000  1
  Se  Se4  9  0.0000  0.5000  0.5000  1
  Se  Se5  3  -0.0000  -0.0000  0.5000  1
]