data_[Bi4C12S12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6094]
_cell_length_b [11.6964]
_cell_length_c [11.9657]
_cell_angle_alpha [114.1874]
_cell_angle_beta [102.4388]
_cell_angle_gamma [98.2396]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiC3(SN)3]
_chemical_formula_sum '[Bi4 C12 S12 N12]'
_cell_volume [795.6739]
_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
[
  Bi  Bi0  2  0.3780  0.5731  0.2737  1
  Bi  Bi1  2  0.4825  0.9080  0.2081  1
  C  C2  2  0.0401  0.3458  0.9514  1
  C  C3  2  0.2291  0.7731  0.5596  1
  C  C4  2  0.2784  0.3957  0.4385  1
  C  C5  2  0.3116  0.0723  0.0373  1
  C  C6  2  0.3248  0.0865  0.4832  1
  C  C7  2  0.4066  0.6087  0.9665  1
  S  S8  2  0.0729  0.7460  0.2028  1
  S  S9  2  0.1662  0.3645  0.2899  1
  S  S10  2  0.1865  0.8684  0.6930  1
  S  S11  2  0.2007  0.0320  0.1295  1
  S  S12  2  0.2589  0.1688  0.6112  1
  S  S13  2  0.3207  0.5553  0.8111  1
  N  N14  2  0.1249  0.4114  0.0627  1
  N  N15  2  0.2535  0.7002  0.4634  1
  N  N16  2  0.3527  0.4137  0.5452  1
  N  N17  2  0.3698  0.0262  0.3900  1
  N  N18  2  0.3877  0.1063  0.9716  1
  N  N19  2  0.4602  0.6520  0.0805  1
]