data_[Ac12Ge2Te6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  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 [8.0129]
_cell_length_b [13.8788]
_cell_length_c [8.1787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6GeTe3As2]
_chemical_formula_sum '[Ac12 Ge2 Te6 As4]'
_cell_volume [859.7970]
_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  8  0.2404  0.8343  0.2244  1
  Ac  Ac1  4  0.2434  0.5000  0.2247  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.1673  0.5000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  As  As5  4  0.0000  0.3335  0.0000  1
]