data_[Rb6Ac4Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8351]
_cell_length_b [13.5699]
_cell_length_c [8.4722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ac2BiSe6]
_chemical_formula_sum '[Rb6 Ac4 Bi2 Se12]'
_cell_volume [856.8536]
_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
[
  Rb  Rb0  4  0.0000  0.1661  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  4  0.0000  0.3333  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2300  0.1613  0.2060  1
  Se  Se5  4  0.2460  0.5000  0.2056  1
]