data_[Zn3Co2C12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [7.3376]
_cell_length_b [7.3376]
_cell_length_c [10.3438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Zn3Co2(CN)12]
_chemical_formula_sum '[Zn3 Co2 C12 N12]'
_cell_volume [556.9093]
_cell_formula_units_Z [1]
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
[
  Zn  Zn0  2  0.0000  0.5000  0.7499  1
  Zn  Zn1  1  0.5000  0.5000  0.0000  1
  Co  Co2  2  0.0000  0.5000  0.2535  1
  C  C3  8  0.1821  0.3211  0.2493  1
  C  C4  2  0.0000  0.5000  0.0731  1
  C  C5  2  0.0000  0.5000  0.4353  1
  N  N6  8  0.2117  0.2976  0.7590  1
  N  N7  2  0.0000  0.5000  0.5481  1
  N  N8  2  0.0000  0.5000  0.9600  1
]