data_[Nd2S2Cl2]
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 [P2_1/m]
_cell_length_a [5.3971]
_cell_length_b [4.4308]
_cell_length_c [7.2318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdSCl]
_chemical_formula_sum '[Nd2 S2 Cl2]'
_cell_volume [163.9398]
_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  2  0.1683  0.7500  0.8059  1.0
  S  S1  2  0.2711  0.2500  0.0602  1.0
  Cl  Cl2  2  0.2517  0.2500  0.5620  1.0
]