data_[Ac12Bi2Sb4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8461]
_cell_length_b [4.7916]
_cell_length_c [9.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6BiSb2Te3]
_chemical_formula_sum '[Ac12 Bi2 Sb4 Te6]'
_cell_volume [929.0394]
_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  0.0027  0.0000  0.2506  1
  Ac  Ac1  4  0.1670  0.5000  0.0905  1
  Ac  Ac2  4  0.1690  0.5000  0.5780  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.1668  0.0000  0.3333  1
  Te  Te5  4  0.1656  0.0000  0.8332  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]