data_[Cs4Sm4Sb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0764]
_cell_length_b [12.1725]
_cell_length_c [8.6215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sm2SbS6]
_chemical_formula_sum '[Cs4 Sm4 Sb2 S12]'
_cell_volume [712.8321]
_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
[
  Cs  Cs0  4  0.0000  0.1697  0.0000  1.0
  Sm  Sm1  4  0.0000  0.3332  0.5000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2203  0.1592  0.6785  1.0
  S  S4  4  0.2456  0.5000  0.6773  1.0
]