data_[La6Nd26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.5354]
_cell_length_b [10.3671]
_cell_length_c [10.3815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3Nd13]
_chemical_formula_sum '[La6 Nd26]'
_cell_volume [1133.8863]
_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
[
  La  La0  4  0.2499  0.0000  0.0004  1.0
  La  La1  2  0.0000  0.0000  0.7481  1.0
  Nd  Nd2  8  0.2510  0.2496  0.2500  1.0
  Nd  Nd3  4  0.0000  0.2495  0.4999  1.0
  Nd  Nd4  4  0.2517  0.0000  0.4994  1.0
  Nd  Nd5  4  0.5000  0.2487  0.5001  1.0
  Nd  Nd6  2  0.0000  0.0000  0.2520  1.0
  Nd  Nd7  2  0.5000  0.0000  0.2504  1.0
  Nd  Nd8  2  0.5000  0.0000  0.7498  1.0
]