data_[Ce4Nd12Er12]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.4649]
_cell_length_b [11.5319]
_cell_length_c [7.1981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce(NdEr)3]
_chemical_formula_sum '[Ce4 Nd12 Er12]'
_cell_volume [951.6877]
_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  0.2947  0.0000  1
  Nd  Nd1  8  0.2500  0.2500  0.2473  1
  Nd  Nd2  4  0.0000  0.0000  0.2509  1
  Er  Er3  4  0.0000  0.2819  0.5000  1
  Er  Er4  4  0.2087  0.5000  0.5000  1
  Er  Er5  4  0.2209  0.5000  0.0000  1
]