data_[Ac24Ge3Te9As12]
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 [R-3m]
_cell_length_a [9.2346]
_cell_length_b [9.2346]
_cell_length_c [22.7923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac8GeTe3As4]
_chemical_formula_sum '[Ac24 Ge3 Te9 As12]'
_cell_volume [1683.2888]
_cell_formula_units_Z [3]
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  18  0.0111  0.5055  0.2543  1
  Ac  Ac1  6  0.0000  0.0000  0.2582  1
  Ge  Ge2  3  0.0000  0.0000  0.5000  1
  Te  Te3  9  0.0000  0.5000  0.5000  1
  As  As4  9  0.0000  0.5000  0.0000  1
  As  As5  3  -0.0000  -0.0000  0.0000  1
]