data_[Ba4Ce4W4N12]
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
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7895]
_cell_length_b [3.9597]
_cell_length_c [7.6398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCeWN3]
_chemical_formula_sum '[Ba4 Ce4 W4 N12]'
_cell_volume [401.9754]
_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  0.1389  0.5000  0.0704  1.0
  Ce  Ce1  4  0.1612  0.5000  0.5778  1.0
  W  W2  4  0.0012  0.0000  0.6746  1.0
  N  N3  4  0.0055  0.5000  0.3033  1.0
  N  N4  4  0.1496  0.0000  0.7845  1.0
  N  N5  4  0.1621  0.0000  0.3704  1.0
]