data_[Ac2Nd8S10]
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 [C2/m]
_cell_length_a [13.6750]
_cell_length_b [4.1138]
_cell_length_c [10.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcNd4S5]
_chemical_formula_sum '[Ac2 Nd8 S10]'
_cell_volume [493.6317]
_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  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.0981  0.5000  0.4007  1
  Nd  Nd2  4  0.2002  0.0000  0.7939  1
  S  S3  4  0.1064  0.5000  0.8965  1
  S  S4  4  0.2023  0.0000  0.3085  1
  S  S5  2  0.0000  0.0000  0.5000  1
]