data_[Nd3Er3Tm6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [R3]
_cell_length_a [6.9118]
_cell_length_b [6.9118]
_cell_length_c [18.4140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdEr(TmS3)2]
_chemical_formula_sum '[Nd3 Er3 Tm6 S18]'
_cell_volume [761.8451]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8092  1.0
  Er  Er1  3  0.0000  0.0000  0.3160  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0131  1.0
  Tm  Tm3  3  0.0000  0.0000  0.5170  1.0
  S  S4  9  0.0311  0.3583  0.5848  1.0
  S  S5  9  0.0522  0.6918  0.0839  1.0
]