data_[K4Ac2Be4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3817]
_cell_length_b [3.9316]
_cell_length_c [9.0555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ac(BeSe2)2]
_chemical_formula_sum '[K4 Ac2 Be4 Se8]'
_cell_volume [510.0388]
_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
[
  K  K0  4  0.1215  0.0000  0.5764  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.1707  0.5000  0.9625  1
  Se  Se3  4  0.0262  0.5000  0.7503  1
  Se  Se4  4  0.2163  0.0000  0.1290  1
]