data_[Nd6Y3Tm3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0369]
_cell_length_b [7.0369]
_cell_length_c [18.5492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Nd2YTmS6]
_chemical_formula_sum '[Nd6 Y3 Tm3 S18]'
_cell_volume [795.4720]
_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  0.4772  1
  Nd  Nd1  3  0.0000  0.0000  0.9779  1
  Y  Y2  3  0.0000  0.0000  0.1837  1
  Tm  Tm3  3  0.0000  0.0000  0.6827  1
  S  S4  9  0.0470  0.3552  0.7524  1
  S  S5  9  0.0489  0.6877  0.2532  1
]