data_[Nd2Se4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3416]
_cell_length_b [7.4082]
_cell_length_c [7.9563]
_cell_angle_alpha [83.6020]
_cell_angle_beta [62.5878]
_cell_angle_gamma [73.0578]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd(SeCl)2]
_chemical_formula_sum '[Nd2 Se4 Cl4]'
_cell_volume [367.3371]
_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  0.1737  0.9999  0.6527  1
  Se  Se1  2  0.1040  0.7317  0.9926  1
  Se  Se2  2  0.2693  0.9473  0.9990  1
  Cl  Cl3  2  0.0331  0.7556  0.5271  1
  Cl  Cl4  2  0.4331  0.2444  0.5403  1
]