data_[Ba4Ce2Cr4N12]
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 [C2/m]
_cell_length_a [10.5874]
_cell_length_b [5.9765]
_cell_length_c [7.0423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ce(CrN3)2]
_chemical_formula_sum '[Ba4 Ce2 Cr4 N12]'
_cell_volume [377.4123]
_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
[
  Ba  Ba0  4  0.2155  0.5000  0.1939  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0459  0.0000  0.2070  1.0
  N  N3  8  0.0331  0.2409  0.7726  1.0
  N  N4  4  0.2346  0.0000  0.3362  1.0
]