data_[Li9Ac6Ho3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6500]
_cell_length_b [7.6500]
_cell_length_c [17.4415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li3Ac2HoF12]
_chemical_formula_sum '[Li9 Ac6 Ho3 F36]'
_cell_volume [883.9781]
_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
[
  Li  Li0  9  0.0000  0.5000  0.5000  1
  Ac  Ac1  6  0.0000  0.0000  0.3407  1
  Ho  Ho2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0297  0.5149  0.0814  1
  F  F4  18  0.0659  0.5330  0.5985  1
]