data_[Tb16Nd4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0461]
_cell_length_b [13.4683]
_cell_length_c [20.9057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb4NdSe6]
_chemical_formula_sum '[Tb16 Nd4 Se24]'
_cell_volume [1139.2447]
_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
[
  Tb  Tb0  8  0.0000  0.1403  0.0382  1
  Tb  Tb1  8  0.0000  0.4099  0.1262  1
  Nd  Nd2  4  0.0000  0.3457  0.7500  1
  Se  Se3  8  0.0000  0.0505  0.1651  1
  Se  Se4  8  0.0000  0.2319  0.5906  1
  Se  Se5  4  0.0000  0.3157  0.2500  1
  Se  Se6  4  0.0000  0.5000  0.0000  1
]