data_[La12Nd4Y24]
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 [Cmc2_1]
_cell_length_a [13.8638]
_cell_length_b [14.6686]
_cell_length_c [6.9002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3NdY6]
_chemical_formula_sum '[La12 Nd4 Y24]'
_cell_volume [1403.2299]
_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
[
  La  La0  8  0.2013  0.0387  0.5228  1
  La  La1  4  0.0000  0.3929  0.7973  1
  Nd  Nd2  4  0.0000  0.1893  0.9729  1
  Y  Y3  8  0.1166  0.4016  0.2988  1
  Y  Y4  8  0.2392  0.2897  0.6886  1
  Y  Y5  4  0.0000  0.0127  0.2462  1
  Y  Y6  4  0.0000  0.2149  0.4777  1
]