data_[Ac12Ge4Pb2Se6]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0580]
_cell_length_b [4.6067]
_cell_length_c [9.2399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ge2PbSe3]
_chemical_formula_sum '[Ac12 Ge4 Pb2 Se6]'
_cell_volume [833.7868]
_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  0.0038  0.0000  0.2600  1
  Ac  Ac1  4  0.1698  0.5000  0.0962  1
  Ac  Ac2  4  0.1704  0.5000  0.5771  1
  Ge  Ge3  4  0.1670  0.0000  0.3353  1
  Pb  Pb4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1661  0.0000  0.8328  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]