data_[La8Nd2Y6]
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 [Pmn2_1]
_cell_length_a [11.8094]
_cell_length_b [7.4082]
_cell_length_c [6.4400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La4NdY3]
_chemical_formula_sum '[La8 Nd2 Y6]'
_cell_volume [563.4121]
_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  0.2448  0.8773  0.4765  1
  La  La1  2  0.0000  0.1280  0.6611  1
  La  La2  2  0.0000  0.8733  0.1459  1
  Nd  Nd3  2  0.0000  0.3731  0.1481  1
  Y  Y4  4  0.2498  0.6212  0.9801  1
  Y  Y5  2  0.0000  0.6208  0.6471  1
]