data_[Ac2Nd8S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6382]
_cell_length_b [3.9973]
_cell_length_c [12.0770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AcNd4S7]
_chemical_formula_sum '[Ac2 Nd8 S14]'
_cell_volume [636.4191]
_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  0.3887  0.5000  0.5813  1
  Nd  Nd1  2  0.0010  0.0000  0.0032  1
  Nd  Nd2  2  0.1115  0.0000  0.4132  1
  Nd  Nd3  2  0.2011  0.5000  0.8182  1
  Nd  Nd4  2  0.2996  0.0000  0.1861  1
  S  S5  2  0.0047  0.5000  0.4938  1
  S  S6  2  0.0486  0.0000  0.7926  1
  S  S7  2  0.1591  0.5000  0.0515  1
  S  S8  2  0.2376  0.5000  0.3456  1
  S  S9  2  0.2511  0.0000  0.6496  1
  S  S10  2  0.3431  0.0000  0.9507  1
  S  S11  2  0.4539  0.5000  0.2142  1
]