data_[Ac8Ho2S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9481]
_cell_length_b [4.1389]
_cell_length_c [12.1341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac4HoS7]
_chemical_formula_sum '[Ac8 Ho2 S14]'
_cell_volume [674.4711]
_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
[
  Ac  Ac0  2  0.0017  0.0000  0.9933  1
  Ac  Ac1  2  0.1079  0.0000  0.4326  1
  Ac  Ac2  2  0.2018  0.5000  0.8071  1
  Ac  Ac3  2  0.3072  0.0000  0.2023  1
  Ho  Ho4  2  0.3843  0.5000  0.5749  1
  S  S5  2  0.0401  0.0000  0.7661  1
  S  S6  2  0.1628  0.5000  0.0516  1
  S  S7  2  0.2404  0.5000  0.3650  1
  S  S8  2  0.2762  0.0000  0.6483  1
  S  S9  2  0.3410  0.0000  0.9518  1
  S  S10  2  0.4603  0.5000  0.2149  1
  S  S11  2  0.4762  0.0000  0.4922  1
]