data_[Tb6Sm2Dy4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8346]
_cell_length_b [11.8052]
_cell_length_c [6.7869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Sm(DyS3)2]
_chemical_formula_sum '[Tb6 Sm2 Dy4 S12]'
_cell_volume [515.6348]
_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
[
  Tb  Tb0  4  0.0000  0.1640  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy3  4  0.0000  0.3337  0.0000  1.0
  S  S4  8  0.2466  0.3304  0.7482  1.0
  S  S5  4  0.2445  0.5000  0.2495  1.0
]