data_[Na4Nd4Zn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.3050]
_cell_length_b [4.1489]
_cell_length_c [13.5981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaNdZnSe3]
_chemical_formula_sum '[Na4 Nd4 Zn4 Se12]'
_cell_volume [637.8022]
_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
[
  Na  Na0  4  0.2162  0.2500  0.4950  1
  Nd  Nd1  4  0.0136  0.7500  0.7617  1
  Zn  Zn2  4  0.2357  0.7500  0.2826  1
  Se  Se3  4  0.0549  0.7500  0.3832  1
  Se  Se4  4  0.0974  0.2500  0.8978  1
  Se  Se5  4  0.2406  0.2500  0.1707  1
]