data_[K2Tb6Nd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/m]
_cell_length_a [18.6162]
_cell_length_b [4.1230]
_cell_length_c [8.5677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTb3(NdSe3)2]
_chemical_formula_sum '[K2 Tb6 Nd4 Se12]'
_cell_volume [634.7770]
_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
[
  K  K0  2  0.0000  0.5000  0.0000  1.0
  Tb  Tb1  4  0.1662  0.0000  0.8289  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  4  0.1732  0.0000  0.3459  1.0
  Se  Se4  4  0.0007  0.0000  0.7312  1.0
  Se  Se5  4  0.1610  0.5000  0.5909  1.0
  Se  Se6  4  0.1725  0.5000  0.0784  1.0
]