data_[Rb4Sm4Sn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0090]
_cell_length_b [12.0291]
_cell_length_c [8.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Sm2SnS6]
_chemical_formula_sum '[Rb4 Sm4 Sn2 S12]'
_cell_volume [667.3015]
_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  0.1703  0.0000  1
  Sm  Sm1  4  0.0000  0.3325  0.5000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2214  0.1572  0.6882  1
  S  S4  4  0.2436  0.0000  0.3150  1
]