data_[Ac2Tb16Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4691]
_cell_length_b [7.0208]
_cell_length_c [5.5085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(Tb4Er)2]
_chemical_formula_sum '[Ac2 Tb16 Er4]'
_cell_volume [751.7029]
_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
[
  Tb  Tb0  8  0.1368  0.2690  0.7292  1
  Tb  Tb1  4  0.0471  0.5000  0.2398  1
  Tb  Tb2  4  0.1908  0.0000  0.2340  1
  Ac  Ac3  2  0.0000  0.0000  0.0000  1
  Er  Er4  4  0.2148  0.5000  0.2476  1
]