data_[Ce2Nd6]
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
]
_symmetry_space_group_name_H-M [Pma2]
_cell_length_a [5.3054]
_cell_length_b [8.8229]
_cell_length_c [18.2253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [CeNd3]
_chemical_formula_sum '[Ce2 Nd6]'
_cell_volume [853.1064]
_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
[
  Ce  Ce0  2  0.2500  0.9234  0.5418  1
  Nd  Nd1  2  0.2500  0.1560  0.4111  1
  Nd  Nd2  2  0.2500  0.3324  0.5880  1
  Nd  Nd3  2  0.2500  0.6079  0.4591  1
]