data_[La9Tb12Nd3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [R-3m]
_cell_length_a [8.3456]
_cell_length_b [8.3456]
_cell_length_c [20.6639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La3Tb4NdSe8]
_chemical_formula_sum '[La9 Tb12 Nd3 Se24]'
_cell_volume [1246.4082]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1.0
  La  La1  9  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  18  0.0019  0.5009  0.2551  1.0
  Se  Se5  6  0.0000  0.0000  0.2557  1.0
]