data_[Ac12Sn4Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2344]
_cell_length_b [4.7087]
_cell_length_c [9.2637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Sn2SbSe3]
_chemical_formula_sum '[Ac12 Sn4 Sb2 Se6]'
_cell_volume [863.7075]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.7457  1
  Ac  Ac1  4  0.1662  0.5000  0.5844  1
  Ac  Ac2  4  0.1685  0.5000  0.0828  1
  Sn  Sn3  4  0.1661  0.0000  0.3316  1
  Sb  Sb4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1655  0.0000  0.8335  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]