data_[La3Nd5Y4]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3540]
_cell_length_b [7.3030]
_cell_length_c [8.9766]
_cell_angle_alpha [89.9360]
_cell_angle_beta [89.9551]
_cell_angle_gamma [89.9138]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3Nd5Y4]
_chemical_formula_sum '[La3 Nd5 Y4]'
_cell_volume [416.5397]
_cell_formula_units_Z [1]
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  2  0.3342  0.7504  0.1662  1
  La  La1  1  0.5000  0.5000  0.5000  1
  Nd  Nd2  2  0.0012  0.2481  0.5008  1
  Nd  Nd3  2  0.1664  0.4993  0.8344  1
  Nd  Nd4  1  0.5000  0.0000  0.5000  1
  Y  Y5  2  0.1663  0.9994  0.8341  1
  Y  Y6  2  0.3313  0.2479  0.1656  1
]