data_[Co6Si12N22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [9.5548]
_cell_length_b [9.5548]
_cell_length_c [4.8587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [Co3Si6N11]
_chemical_formula_sum '[Co6 Si12 N22]'
_cell_volume [443.5732]
_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
[
  Co  Co0  4  0.1586  0.3414  0.9147  1
  Co  Co1  2  0.0000  0.0000  0.9634  1
  Si  Si2  8  0.0719  0.7857  0.5382  1
  Si  Si3  4  0.1247  0.6247  0.0442  1
  N  N4  8  0.0673  0.7807  0.1836  1
  N  N5  8  0.0887  0.1815  0.6849  1
  N  N6  4  0.1336  0.6336  0.6838  1
  N  N7  2  0.0000  0.5000  0.0928  1
]