data_[Rb4Ac8Tl4Se16]
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
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5834]
_cell_length_b [14.7843]
_cell_length_c [17.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbAc2TlSe4]
_chemical_formula_sum '[Rb4 Ac8 Tl4 Se16]'
_cell_volume [1208.1351]
_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
[
  Rb  Rb0  4  0.0000  0.0954  0.7500  1
  Ac  Ac1  8  0.0000  0.3675  0.5632  1
  Tl  Tl2  4  0.0000  0.2073  0.2500  1
  Se  Se3  8  0.0000  0.2680  0.0868  1
  Se  Se4  4  0.0000  0.0000  0.0000  1
  Se  Se5  4  0.0000  0.4233  0.7500  1
]