data_[Nd8Er4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  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 [3.8641]
_cell_length_b [16.9423]
_cell_length_c [11.9551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2ErZnS5]
_chemical_formula_sum '[Nd8 Er4 Zn4 S20]'
_cell_volume [782.6551]
_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  0.1146  0.6837  1
  Nd  Nd1  4  0.0000  0.1320  0.3181  1
  Er  Er2  4  0.0000  0.1984  0.0157  1
  Zn  Zn3  4  0.0000  0.4536  0.4471  1
  S  S4  4  0.0000  0.0412  0.0529  1
  S  S5  4  0.0000  0.2902  0.6733  1
  S  S6  4  0.0000  0.3156  0.3567  1
  S  S7  4  0.0000  0.3559  0.0040  1
  S  S8  4  0.0000  0.4936  0.7726  1
]