data_[Sm12Pt2Se4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9518]
_cell_length_b [4.0352]
_cell_length_c [8.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6PtSe2S3]
_chemical_formula_sum '[Sm12 Pt2 Se4 S6]'
_cell_volume [585.2247]
_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  4  0.0025  0.0000  0.7554  1
  Sm  Sm1  4  0.1628  0.5000  0.5933  1
  Sm  Sm2  4  0.1681  0.5000  0.0750  1
  Pt  Pt3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.1679  0.0000  0.3370  1
  S  S5  4  0.1684  0.0000  0.8341  1
  S  S6  2  0.0000  0.5000  0.5000  1
]