data_[Sm2Y4Ag6S12]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5431]
_cell_length_b [4.0840]
_cell_length_c [9.5891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmY2(AgS2)3]
_chemical_formula_sum '[Sm2 Y4 Ag6 S12]'
_cell_volume [586.0161]
_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  0.0000  0.5000  0.0000  1
  Y  Y1  4  0.1659  0.0000  0.3359  1
  Ag  Ag2  4  0.1735  0.0000  0.9409  1
  Ag  Ag3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0111  0.0000  0.8039  1
  S  S5  4  0.1570  0.5000  0.5200  1
  S  S6  4  0.1854  0.5000  0.1446  1
]