data_[Sm4Y2Tm6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1322]
_cell_length_b [3.8802]
_cell_length_c [7.8737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Y(TmS2)3]
_chemical_formula_sum '[Sm4 Y2 Tm6 S12]'
_cell_volume [507.4453]
_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  0.1674  0.0000  0.3349  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm2  4  0.1678  0.0000  0.8329  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0037  0.0000  0.7468  1.0
  S  S5  4  0.1628  0.5000  0.5923  1.0
  S  S6  4  0.1677  0.5000  0.0729  1.0
]