data_[Ac12Sb2Te4As6]
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
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3652]
_cell_length_b [4.6266]
_cell_length_c [9.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6SbTe2As3]
_chemical_formula_sum '[Ac12 Sb2 Te4 As6]'
_cell_volume [854.6676]
_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  0.0047  0.0000  0.7434  1
  Ac  Ac1  4  0.1602  0.5000  0.5974  1
  Ac  Ac2  4  0.1696  0.5000  0.0687  1
  Sb  Sb3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1680  0.0000  0.3358  1
  As  As5  4  0.1676  0.0000  0.8327  1
  As  As6  2  0.0000  0.5000  0.5000  1
]