data_[Nd2Dy4Tm6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  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 [17.0727]
_cell_length_b [3.8760]
_cell_length_c [7.8504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdDy2(TmS2)3]
_chemical_formula_sum '[Nd2 Dy4 Tm6 S12]'
_cell_volume [504.2935]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.0000  1.0
  Dy  Dy1  4  0.1656  0.0000  0.3308  1.0
  Tm  Tm2  4  0.1645  0.0000  0.8338  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0008  0.0000  0.7358  1.0
  S  S5  4  0.1658  0.5000  0.5869  1.0
  S  S6  4  0.1724  0.5000  0.0820  1.0
]