data_[Ce4Nd8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9305]
_cell_length_b [16.6332]
_cell_length_c [12.0977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CeNd2CuS5]
_chemical_formula_sum '[Ce4 Nd8 Cu4 S20]'
_cell_volume [790.9066]
_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
[
  Ce  Ce0  4  0.0000  0.1780  0.0285  1.0
  Nd  Nd1  4  0.0000  0.1135  0.6920  1.0
  Nd  Nd2  4  0.0000  0.1175  0.3485  1.0
  Cu  Cu3  4  0.0000  0.4525  0.4205  1.0
  S  S4  4  0.0000  0.0137  0.0110  1.0
  S  S5  4  0.0000  0.2988  0.6935  1.0
  S  S6  4  0.0000  0.3177  0.3604  1.0
  S  S7  4  0.0000  0.3451  0.0204  1.0
  S  S8  4  0.0000  0.4911  0.7491  1.0
]