data_[Sm2In6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9748]
_cell_length_b [3.9146]
_cell_length_c [11.3471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(InS2)3]
_chemical_formula_sum '[Sm2 In6 S12]'
_cell_volume [451.9333]
_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
[
  Sm  Sm0  2  0.2959  0.2500  0.9470  1.0
  In  In1  2  0.0975  0.7500  0.1692  1.0
  In  In2  2  0.1664  0.2500  0.5589  1.0
  In  In3  2  0.4815  0.7500  0.7042  1.0
  S  S4  2  0.0610  0.7500  0.3961  1.0
  S  S5  2  0.0874  0.7500  0.9277  1.0
  S  S6  2  0.2597  0.7500  0.7422  1.0
  S  S7  2  0.2605  0.2500  0.2014  1.0
  S  S8  2  0.3962  0.2500  0.5484  1.0
  S  S9  2  0.4637  0.7500  0.1025  1.0
]