data_[Nd8S10Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.8304]
_cell_length_b [9.5839]
_cell_length_c [6.9130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd4S5Cl]
_chemical_formula_sum '[Nd8 S10 Cl2]'
_cell_volume [585.0440]
_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  4  0.0000  0.2657  0.9797  1
  Nd  Nd1  4  0.2269  0.5000  0.4674  1
  S  S2  8  0.2382  0.2053  0.2535  1
  S  S3  2  0.0000  0.5000  0.1981  1
  Cl  Cl4  2  0.0000  0.0000  0.7709  1
]