data_[Li4Ac4Nd8S16]
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
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0414]
_cell_length_b [13.4829]
_cell_length_c [14.0342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiAc(NdS2)2]
_chemical_formula_sum '[Li4 Ac4 Nd8 S16]'
_cell_volume [764.7111]
_cell_formula_units_Z [4]
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  4  0.0000  0.1481  0.2500  1
  Ac  Ac1  4  0.0000  0.1180  0.7500  1
  Nd  Nd2  8  0.0000  0.3665  0.5553  1
  S  S3  8  0.0000  0.2722  0.1270  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4508  0.7500  1
]