data_[Ca2Ce4Nd6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6065]
_cell_length_b [3.6252]
_cell_length_c [7.2379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCe2Nd3N6]
_chemical_formula_sum '[Ca2 Ce4 Nd6 N12]'
_cell_volume [397.9348]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1642  0.0000  0.3284  1.0
  Nd  Nd2  4  0.1649  0.0000  0.8357  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0087  0.0000  0.2612  1.0
  N  N5  4  0.1699  0.5000  0.0958  1.0
  N  N6  4  0.1708  0.5000  0.5759  1.0
]