data_[La2Dy6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.1231]
_cell_length_b [4.0237]
_cell_length_c [11.3979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(DyS2)3]
_chemical_formula_sum '[La2 Dy6 S12]'
_cell_volume [483.1611]
_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
[
  La  La0  2  0.0502  0.7500  0.6943  1.0
  Dy  Dy1  2  0.1608  0.7500  0.0876  1.0
  Dy  Dy2  2  0.3207  0.2500  0.4987  1.0
  Dy  Dy3  2  0.4436  0.7500  0.8329  1.0
  S  S4  2  0.0827  0.2500  0.9070  1.0
  S  S5  2  0.1196  0.7500  0.4628  1.0
  S  S6  2  0.1967  0.2500  0.2488  1.0
  S  S7  2  0.2677  0.2500  0.7289  1.0
  S  S8  2  0.3941  0.7500  0.0575  1.0
  S  S9  2  0.4780  0.7500  0.6108  1.0
]