data_[Dy2Er4Tm6S12]
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
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8738]
_cell_length_b [3.8478]
_cell_length_c [7.7331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyEr2(TmS2)3]
_chemical_formula_sum '[Dy2 Er4 Tm6 S12]'
_cell_volume [488.1186]
_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  0.0000  0.5000  0.0000  1.0
  Er  Er1  4  0.1663  0.0000  0.3322  1.0
  Tm  Tm2  4  0.1660  0.0000  0.8337  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0003  0.0000  0.7458  1.0
  S  S5  4  0.1664  0.5000  0.5845  1.0
  S  S6  4  0.1684  0.5000  0.0827  1.0
]