data_[K4Ac4Mg16]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.1235]
_cell_length_b [9.1235]
_cell_length_c [9.1235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [KAcMg4]
_chemical_formula_sum '[K4 Ac4 Mg16]'
_cell_volume [759.4136]
_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
[
  K  K0  4  0.2500  0.2500  0.7500  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Mg  Mg2  16  0.1258  0.1258  0.3742  1
]