data_[Nd8Sm4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  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 [3.9358]
_cell_length_b [17.1494]
_cell_length_c [11.6489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2SmCuS5]
_chemical_formula_sum '[Nd8 Sm4 Cu4 S20]'
_cell_volume [786.2641]
_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
[
  Nd  Nd0  4  0.0000  0.1070  0.6852  1.0
  Nd  Nd1  4  0.0000  0.1189  0.3118  1.0
  Sm  Sm2  4  0.0000  0.1947  0.0103  1.0
  Cu  Cu3  4  0.0000  0.4428  0.4536  1.0
  S  S4  4  0.0000  0.0413  0.0582  1.0
  S  S5  4  0.0000  0.2908  0.6795  1.0
  S  S6  4  0.0000  0.3187  0.3450  1.0
  S  S7  4  0.0000  0.3584  0.0022  1.0
  S  S8  4  0.0000  0.4984  0.7780  1.0
]