data_[Ac4Sb2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1464]
_cell_length_b [8.2120]
_cell_length_c [11.8495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2SbSe6]
_chemical_formula_sum '[Ac4 Sb2 Se12]'
_cell_volume [518.1271]
_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  0.1920  0.6057  0.2600  1
  Sb  Sb1  2  0.5000  0.0000  0.5000  1
  Se  Se2  4  0.1010  0.6775  0.9659  1
  Se  Se3  4  0.2882  0.1961  0.9698  1
  Se  Se4  4  0.3196  0.5231  0.7421  1
]