data_[Nd4Tm16S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8300]
_cell_length_b [12.6918]
_cell_length_c [19.6937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd(Tm2S3)2]
_chemical_formula_sum '[Nd4 Tm16 S24]'
_cell_volume [957.3112]
_cell_formula_units_Z [4]
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  4  0.0000  0.3468  0.7500  1
  Tm  Tm1  8  0.0000  0.1383  0.0391  1
  Tm  Tm2  8  0.0000  0.4076  0.1260  1
  S  S3  8  0.0000  0.0463  0.1636  1
  S  S4  8  0.0000  0.2318  0.5881  1
  S  S5  4  0.0000  0.3179  0.2500  1
  S  S6  4  0.0000  0.5000  0.0000  1
]