data_[Ac3Ho21Er36]
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 [R-3]
_cell_length_a [11.9722]
_cell_length_b [11.9722]
_cell_length_c [15.6842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [AcHo7Er12]
_chemical_formula_sum '[Ac3 Ho21 Er36]'
_cell_volume [1946.8844]
_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
[
  Ac  Ac0  3  0.0000  0.0000  0.0000  1
  Ho  Ho1  18  0.0474  0.1896  0.7964  1
  Ho  Ho2  3  -0.0000  0.0000  0.5000  1
  Er  Er3  18  0.0080  0.4410  0.7158  1
  Er  Er4  18  0.0504  0.5881  0.0846  1
]