data_[Cs8Cu12C12N28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.7670]
_cell_length_b [7.8413]
_cell_length_c [9.0377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2Cu3C3N7]
_chemical_formula_sum '[Cs8 Cu12 C12 N28]'
_cell_volume [1184.8882]
_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  0.1167  0.3320  0.0675  1
  Cu  Cu1  8  0.2012  0.1736  0.6029  1
  Cu  Cu2  4  0.0000  0.0569  0.7500  1
  C  C3  8  0.2259  0.3548  0.7321  1
  C  C4  4  0.0000  0.2956  0.7500  1
  N  N5  8  0.0746  0.0659  0.3702  1
  N  N6  8  0.1185  0.1173  0.4660  1
  N  N7  8  0.2486  0.4635  0.8165  1
  N  N8  4  0.0000  0.4464  0.7500  1
]