data_[Na6Ac2Sm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.2356]
_cell_length_b [12.5446]
_cell_length_c [7.1139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ac(SmS3)2]
_chemical_formula_sum '[Na6 Ac2 Sm4 S12]'
_cell_volume [607.4821]
_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
[
  Na  Na0  4  0.0000  0.1682  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  2  0.0000  0.0000  0.0000  1
  Sm  Sm3  4  0.0000  0.3333  0.0000  1
  S  S4  8  0.2488  0.3263  0.7674  1
  S  S5  4  0.2308  0.5000  0.2353  1
]