data_[Tb6Nd2Se12]
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 [P2_1/m]
_cell_length_a [11.6605]
_cell_length_b [4.1606]
_cell_length_c [11.9662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3NdSe6]
_chemical_formula_sum '[Tb6 Nd2 Se12]'
_cell_volume [548.8149]
_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
[
  Tb  Tb0  2  0.1592  0.7500  0.0850  1.0
  Tb  Tb1  2  0.3188  0.2500  0.4990  1.0
  Tb  Tb2  2  0.4367  0.7500  0.8329  1.0
  Nd  Nd3  2  0.0464  0.7500  0.6942  1.0
  Se  Se4  2  0.0837  0.2500  0.9039  1.0
  Se  Se5  2  0.1157  0.7500  0.4651  1.0
  Se  Se6  2  0.1951  0.2500  0.2502  1.0
  Se  Se7  2  0.2590  0.2500  0.7255  1.0
  Se  Se8  2  0.3946  0.7500  0.0603  1.0
  Se  Se9  2  0.4806  0.7500  0.6143  1.0
]