data_[Ba4Ac16Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.4166]
_cell_length_b [10.4166]
_cell_length_c [10.4166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [BaAc4Er]
_chemical_formula_sum '[Ba4 Ac16 Er4]'
_cell_volume [1130.2643]
_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
[
  Ba  Ba0  4  0.2500  0.2500  0.7500  1
  Ac  Ac1  16  0.1274  0.1274  0.3726  1
  Er  Er2  4  0.0000  0.0000  0.0000  1
]