data_[Rb2Ac1B2Se6]
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
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3042]
_cell_length_b [7.3042]
_cell_length_c [8.3296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb2Ac(BSe3)2]
_chemical_formula_sum '[Rb2 Ac1 B2 Se6]'
_cell_volume [384.8551]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3455  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  B  B2  2  0.3333  0.6667  0.7724  1
  Se  Se3  6  0.1797  0.3595  0.7490  1
]