data_[Nd8Sc4Zn4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9949]
_cell_length_b [17.6677]
_cell_length_c [12.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2ScZnSe5]
_chemical_formula_sum '[Nd8 Sc4 Zn4 Se20]'
_cell_volume [863.7045]
_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  0.1159  0.6843  1
  Nd  Nd1  4  0.0000  0.1323  0.3086  1
  Sc  Sc2  4  0.0000  0.2008  0.0143  1
  Zn  Zn3  4  0.0000  0.4425  0.4521  1
  Se  Se4  4  0.0000  0.0493  0.0638  1
  Se  Se5  4  0.0000  0.2868  0.6661  1
  Se  Se6  4  0.0000  0.3100  0.3568  1
  Se  Se7  4  0.0000  0.3545  0.0009  1
  Se  Se8  4  0.0000  0.4971  0.7771  1
]