data_[La1Nd4Y1]
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 [P2/m]
_cell_length_a [6.3487]
_cell_length_b [3.7115]
_cell_length_c [8.9624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaNd4Y]
_chemical_formula_sum '[La1 Nd4 Y1]'
_cell_volume [211.1845]
_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  0.1661  0.5000  0.6666  1.0
  Nd  Nd2  2  0.3340  0.0000  0.3328  1.0
  Y  Y3  1  0.5000  0.5000  0.0000  1.0
]