data_[Li4Nd4Y4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4892]
_cell_length_b [5.3033]
_cell_length_c [6.7171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNdY]
_chemical_formula_sum '[Li4 Nd4 Y4]'
_cell_volume [348.6091]
_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
[
  Li  Li0  4  0.1436  0.5000  0.0948  1.0
  Nd  Nd1  4  0.0382  0.0000  0.7850  1.0
  Y  Y2  4  0.1786  0.5000  0.5993  1.0
]