data_[La1Nd5Y4]
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 [P4/mmm]
_cell_length_a [3.6542]
_cell_length_b [3.6542]
_cell_length_c [25.6009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaNd5Y4]
_chemical_formula_sum '[La1 Nd5 Y4]'
_cell_volume [341.8464]
_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  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  2  0.5000  0.5000  0.1030  1.0
  Nd  Nd2  2  0.5000  0.5000  0.3022  1.0
  Nd  Nd3  1  0.5000  0.5000  0.5000  1.0
  Y  Y4  2  0.0000  0.0000  0.2034  1.0
  Y  Y5  2  0.0000  0.0000  0.4010  1.0
]