data_[Ac16Bi4Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.3534]
_cell_length_b [9.3995]
_cell_length_c [13.2620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ac4BiPbSe2]
_chemical_formula_sum '[Ac16 Bi4 Pb4 Se8]'
_cell_volume [1165.9598]
_cell_formula_units_Z [4]
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  0.0000  0.0089  0.2481  1
  Ac  Ac1  8  0.2451  0.2500  0.0046  1
  Bi  Bi2  4  0.2500  0.2500  0.7500  1
  Pb  Pb3  4  0.0000  0.0000  0.5000  1
  Se  Se4  4  0.0000  0.0000  0.0000  1
  Se  Se5  4  0.2500  0.2500  0.2500  1
]