data_[Sm6Dy4Y2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8692]
_cell_length_b [11.8640]
_cell_length_c [6.8588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Dy2YS6]
_chemical_formula_sum '[Sm6 Dy4 Y2 S12]'
_cell_volume [526.5601]
_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  0.0000  0.1663  0.5000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.3334  0.0000  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2470  0.1670  0.2409  1.0
  S  S5  4  0.2460  0.5000  0.2407  1.0
]