data_[Ac3La9Nd12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2685]
_cell_length_b [8.2685]
_cell_length_c [20.2324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [AcLa3(NdS2)4]
_chemical_formula_sum '[Ac3 La9 Nd12 S24]'
_cell_volume [1197.9285]
_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
[
  La  La0  9  0.0000  0.5000  0.0000  1
  Ac  Ac1  3  -0.0000  -0.0000  0.0000  1
  Nd  Nd2  9  0.0000  0.5000  0.5000  1
  Nd  Nd3  3  -0.0000  -0.0000  0.5000  1
  S  S4  18  0.0043  0.5022  0.2472  1
  S  S5  6  0.0000  0.0000  0.2484  1
]