data_[Cr6H36C18S36N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  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 [R-3]
_cell_length_a [13.6798]
_cell_length_b [13.6798]
_cell_length_c [12.5518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CrH6C3(S2N)3]
_chemical_formula_sum '[Cr6 H36 C18 S36 N18]'
_cell_volume [2034.2206]
_cell_formula_units_Z [6]
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
[
  Cr  Cr0  6  0.0000  0.0000  0.2476  1
  H  H1  18  0.0015  0.6577  0.3163  1
  H  H2  18  0.0300  0.2900  0.4712  1
  C  C3  18  0.0197  0.8033  0.2509  1
  S  S4  18  0.0455  0.1658  0.6487  1
  S  S5  18  0.0691  0.8973  0.1474  1
  N  N6  18  0.0140  0.6348  0.9207  1
]