data_[Nd8Ge4Se2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0005]
_cell_length_b [6.0005]
_cell_length_c [11.9358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd4Ge2SeCl]
_chemical_formula_sum '[Nd8 Ge4 Se2 Cl2]'
_cell_volume [429.7626]
_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  0.0000  0.2534  1.0
  Nd  Nd1  4  0.0000  0.5000  0.0000  1.0
  Ge  Ge2  4  0.0000  0.5000  0.2500  1.0
  Se  Se3  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]