data_[Cs12B4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9717]
_cell_length_b [8.4985]
_cell_length_c [8.3130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3BN2]
_chemical_formula_sum '[Cs12 B4 N8]'
_cell_volume [613.6583]
_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
[
  Cs  Cs0  8  0.2075  0.0334  0.9740  1
  Cs  Cs1  4  0.0000  0.3213  0.2500  1
  B  B2  4  0.0000  0.2933  0.7500  1
  N  N3  8  0.1101  0.2926  0.6639  1
]