data_[Ba4Nd2Zn4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8520]
_cell_length_b [4.7447]
_cell_length_c [7.5695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Nd(ZnSb2)2]
_chemical_formula_sum '[Ba4 Nd2 Zn4 Sb8]'
_cell_volume [569.9580]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.1412  0.0000  0.5999  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1605  0.5000  0.9764  1.0
  Sb  Sb3  4  0.0012  0.5000  0.7158  1.0
  Sb  Sb4  4  0.2032  0.0000  0.1759  1.0
]