data_[La8Nd4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9703]
_cell_length_b [17.0917]
_cell_length_c [12.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2NdZnS5]
_chemical_formula_sum '[La8 Nd4 Zn4 S20]'
_cell_volume [832.0482]
_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
[
  La  La0  4  0.0000  0.1173  0.6899  1.0
  La  La1  4  0.0000  0.1255  0.3397  1.0
  Nd  Nd2  4  0.0000  0.1873  0.0272  1.0
  Zn  Zn3  4  0.0000  0.4545  0.4265  1.0
  S  S4  4  0.0000  0.0200  0.0201  1.0
  S  S5  4  0.0000  0.2986  0.6904  1.0
  S  S6  4  0.0000  0.3195  0.3588  1.0
  S  S7  4  0.0000  0.3500  0.0155  1.0
  S  S8  4  0.0000  0.4915  0.7559  1.0
]