data_[Rb6Ac4Sm2S12]
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
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5669]
_cell_length_b [13.1066]
_cell_length_c [8.1295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ac2SmS6]
_chemical_formula_sum '[Rb6 Ac4 Sm2 S12]'
_cell_volume [766.3948]
_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
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2264  0.1597  0.2002  1
  S  S5  4  0.2473  0.5000  0.1997  1
]