data_[Nd8Y4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  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 [3.8752]
_cell_length_b [16.9562]
_cell_length_c [12.0093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2YZnS5]
_chemical_formula_sum '[Nd8 Y4 Zn4 S20]'
_cell_volume [789.1201]
_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  0.1148  0.6846  1.0
  Nd  Nd1  4  0.0000  0.1317  0.3216  1.0
  Y  Y2  4  0.0000  0.1964  0.0173  1.0
  Zn  Zn3  4  0.0000  0.4551  0.4440  1.0
  S  S4  4  0.0000  0.0374  0.0486  1.0
  S  S5  4  0.0000  0.2915  0.6769  1.0
  S  S6  4  0.0000  0.3170  0.3556  1.0
  S  S7  4  0.0000  0.3555  0.0056  1.0
  S  S8  4  0.0000  0.4925  0.7698  1.0
]