data_[Dy6Th2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0404]
_cell_length_b [3.9411]
_cell_length_c [11.3332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy3ThS6]
_chemical_formula_sum '[Dy6 Th2 S12]'
_cell_volume [468.5520]
_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
[
  Dy  Dy0  2  0.0669  0.7500  0.6665  1
  Dy  Dy1  2  0.1789  0.2500  0.0013  1
  Dy  Dy2  2  0.3386  0.7500  0.4180  1
  Th  Th3  2  0.4520  0.7500  0.8045  1
  S  S4  2  0.0202  0.7500  0.8855  1
  S  S5  2  0.1038  0.7500  0.4381  1
  S  S6  2  0.2418  0.2500  0.7739  1
  S  S7  2  0.3093  0.2500  0.2488  1
  S  S8  2  0.3836  0.7500  0.0347  1
  S  S9  2  0.4179  0.2500  0.5961  1
]