data_[Ce24Nd6As36]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.5848]
_cell_length_b [11.5848]
_cell_length_c [14.6194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ce4NdAs6]
_chemical_formula_sum '[Ce24 Nd6 As36]'
_cell_volume [1699.1801]
_cell_formula_units_Z [6]
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  18  0.0000  0.3843  0.2500  1
  Ce  Ce1  6  0.0000  0.0000  0.2500  1
  Nd  Nd2  6  0.0000  0.0000  0.0000  1
  As  As3  36  0.0307  0.8173  0.8840  1
]