data_[Nd8Sm4Zn4S20]
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
  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 [3.9157]
_cell_length_b [16.9315]
_cell_length_c [12.0908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2SmZnS5]
_chemical_formula_sum '[Nd8 Sm4 Zn4 S20]'
_cell_volume [801.6119]
_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  0.1166  0.6872  1.0
  Nd  Nd1  4  0.0000  0.1266  0.3376  1.0
  Sm  Sm2  4  0.0000  0.1884  0.0256  1.0
  Zn  Zn3  4  0.0000  0.4553  0.4295  1.0
  S  S4  4  0.0000  0.0223  0.0275  1.0
  S  S5  4  0.0000  0.2970  0.6887  1.0
  S  S6  4  0.0000  0.3188  0.3570  1.0
  S  S7  4  0.0000  0.3503  0.0137  1.0
  S  S8  4  0.0000  0.4909  0.7573  1.0
]