data_[Ac8Sb1Se6]
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 [P-3]
_cell_length_a [11.4571]
_cell_length_b [11.4571]
_cell_length_c [4.5330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ac8SbSe6]
_chemical_formula_sum '[Ac8 Sb1 Se6]'
_cell_volume [515.3077]
_cell_formula_units_Z [1]
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  6  0.0375  0.3243  0.7439  1
  Ac  Ac1  2  0.3333  0.6667  0.2509  1
  Sb  Sb2  1  0.0000  0.0000  0.5000  1
  Se  Se3  6  0.1304  0.6437  0.7513  1
]