data_[Dy2Er6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9700]
_cell_length_b [3.9238]
_cell_length_c [11.2332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy(ErS2)3]
_chemical_formula_sum '[Dy2 Er6 S12]'
_cell_volume [457.7387]
_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  0.0447  0.7500  0.6912  1.0
  Er  Er1  2  0.1606  0.7500  0.0843  1.0
  Er  Er2  2  0.3177  0.2500  0.4973  1.0
  Er  Er3  2  0.4339  0.7500  0.8318  1.0
  S  S4  2  0.0820  0.2500  0.9024  1.0
  S  S5  2  0.1118  0.7500  0.4630  1.0
  S  S6  2  0.1920  0.2500  0.2494  1.0
  S  S7  2  0.2559  0.2500  0.7240  1.0
  S  S8  2  0.3975  0.7500  0.0627  1.0
  S  S9  2  0.4773  0.7500  0.6127  1.0
]