data_[Ce4Nd12Y12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.5076]
_cell_length_b [11.6505]
_cell_length_c [7.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce(NdY)3]
_chemical_formula_sum '[Ce4 Nd12 Y12]'
_cell_volume [973.5955]
_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
[
  Ce  Ce0  4  0.0000  0.2869  0.0000  1
  Nd  Nd1  8  0.2500  0.2500  0.2456  1
  Nd  Nd2  4  0.0000  0.0000  0.2498  1
  Y  Y3  4  0.0000  0.2801  0.5000  1
  Y  Y4  4  0.2104  0.5000  0.5000  1
  Y  Y5  4  0.2148  0.5000  0.0000  1
]