data_[K12Ac9La3Se24]
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
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1030]
_cell_length_b [9.1030]
_cell_length_c [23.1313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4Ac3LaSe8]
_chemical_formula_sum '[K12 Ac9 La3 Se24]'
_cell_volume [1659.9699]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  K  K1  3  -0.0000  -0.0000  0.5000  1
  Ac  Ac2  9  0.0000  0.5000  0.0000  1
  La  La3  3  -0.0000  -0.0000  0.0000  1
  Se  Se4  18  0.0066  0.5033  0.7383  1
  Se  Se5  6  0.0000  0.0000  0.2603  1
]