data_[Nd8Sc4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  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 [3.8378]
_cell_length_b [16.7741]
_cell_length_c [11.7242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2ScZnS5]
_chemical_formula_sum '[Nd8 Sc4 Zn4 S20]'
_cell_volume [754.7438]
_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  0.1160  0.6854  1.0
  Nd  Nd1  4  0.0000  0.1334  0.3094  1.0
  Sc  Sc2  4  0.0000  0.2019  0.0142  1.0
  Zn  Zn3  4  0.0000  0.4480  0.4523  1.0
  S  S4  4  0.0000  0.0493  0.0596  1.0
  S  S5  4  0.0000  0.2881  0.6647  1.0
  S  S6  4  0.0000  0.3114  0.3601  1.0
  S  S7  4  0.0000  0.3547  0.0020  1.0
  S  S8  4  0.0000  0.4961  0.7763  1.0
]