data_[La2Tb6Nd8]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.8630]
_cell_length_b [7.3402]
_cell_length_c [6.3675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaTb3Nd4]
_chemical_formula_sum '[La2 Tb6 Nd8]'
_cell_volume [554.4599]
_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  4  0.2495  0.6225  0.5203  1.0
  Tb  Tb1  2  0.0000  0.3758  0.3518  1.0
  La  La2  2  0.0000  0.6244  0.8528  1.0
  Nd  Nd3  4  0.2471  0.1262  0.5182  1.0
  Nd  Nd4  2  0.0000  0.1283  0.8555  1.0
  Nd  Nd5  2  0.0000  0.8734  0.3476  1.0
]