data_[Ac12Sb2Pb6Se4]
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
  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 [20.7614]
_cell_length_b [4.7188]
_cell_length_c [9.5353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6SbPb3Se2]
_chemical_formula_sum '[Ac12 Sb2 Pb6 Se4]'
_cell_volume [904.1671]
_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  0.0043  0.0000  0.2496  1
  Ac  Ac1  4  0.1671  0.5000  0.0875  1
  Ac  Ac2  4  0.1692  0.5000  0.5760  1
  Sb  Sb3  2  0.0000  0.5000  0.0000  1
  Pb  Pb4  4  0.1656  0.0000  0.8278  1
  Pb  Pb5  2  0.0000  0.5000  0.5000  1
  Se  Se6  4  0.1683  0.0000  0.3340  1
]