data_[Ac4Ho16Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6576]
_cell_length_b [13.2867]
_cell_length_c [6.6631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcHo4Er]
_chemical_formula_sum '[Ac4 Ho16 Er4]'
_cell_volume [794.8474]
_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
[
  Ac  Ac0  4  0.0000  0.0750  0.7500  1
  Ho  Ho1  8  0.1599  0.4211  0.2460  1
  Ho  Ho2  8  0.1653  0.3162  0.7452  1
  Er  Er3  4  0.0000  0.1915  0.2500  1
]