data_[Nd3Sm6Tm3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0392]
_cell_length_b [7.0392]
_cell_length_c [18.7001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdSm2TmS6]
_chemical_formula_sum '[Nd3 Sm6 Tm3 S18]'
_cell_volume [802.4481]
_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  0.8122  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0174  1.0
  Sm  Sm2  3  0.0000  0.0000  0.5210  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3174  1.0
  S  S4  9  0.0144  0.3114  0.9164  1.0
  S  S5  9  0.0431  0.6695  0.0815  1.0
]