data_[Rb6Ac4Nd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.5973]
_cell_length_b [13.1597]
_cell_length_c [8.1345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ac2NdS6]
_chemical_formula_sum '[Rb6 Ac4 Nd2 S12]'
_cell_volume [772.7978]
_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
[
  Rb  Rb0  4  0.0000  0.1665  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  4  0.0000  0.3333  0.0000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2282  0.1612  0.2009  1
  S  S5  4  0.2446  0.5000  0.2005  1
]