data_[La4Tb4Nd12]
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 [C2/m]
_cell_length_a [18.8448]
_cell_length_b [3.7125]
_cell_length_c [10.3234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTbNd3]
_chemical_formula_sum '[La4 Tb4 Nd12]'
_cell_volume [696.7692]
_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
[
  La  La0  4  0.1007  0.5000  0.5524  1.0
  Tb  Tb1  4  0.2012  0.0000  0.8550  1.0
  Nd  Nd2  4  0.0001  0.0000  0.7519  1.0
  Nd  Nd3  4  0.1012  0.5000  0.0486  1.0
  Nd  Nd4  4  0.2015  0.0000  0.3467  1.0
]