data_[Ba4Ce8Cr4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5607]
_cell_length_b [12.3468]
_cell_length_c [12.0383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCe2CrN4]
_chemical_formula_sum '[Ba4 Ce8 Cr4 N16]'
_cell_volume [529.2352]
_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
[
  Ba  Ba0  4  0.0000  0.0888  0.7500  1.0
  Ce  Ce1  8  0.0000  0.3675  0.5461  1.0
  Cr  Cr2  4  0.0000  0.1772  0.2500  1.0
  N  N3  8  0.0000  0.2518  0.1173  1.0
  N  N4  4  0.0000  0.0000  0.0000  1.0
  N  N5  4  0.0000  0.3949  0.7500  1.0
]