data_[Nd8Er4Zn4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0374]
_cell_length_b [17.8044]
_cell_length_c [12.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2ErZnSe5]
_chemical_formula_sum '[Nd8 Er4 Zn4 Se20]'
_cell_volume [893.4779]
_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  0.1149  0.6831  1.0
  Nd  Nd1  4  0.0000  0.1305  0.3144  1.0
  Er  Er2  4  0.0000  0.1988  0.0144  1.0
  Zn  Zn3  4  0.0000  0.4476  0.4489  1.0
  Se  Se4  4  0.0000  0.0432  0.0596  1.0
  Se  Se5  4  0.0000  0.2885  0.6739  1.0
  Se  Se6  4  0.0000  0.3140  0.3533  1.0
  Se  Se7  4  0.0000  0.3567  0.0023  1.0
  Se  Se8  4  0.0000  0.4954  0.7740  1.0
]