data_[Sb2W8C3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.1986]
_cell_length_b [3.1986]
_cell_length_c [22.9530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sb2W8(CN)3]
_chemical_formula_sum '[Sb2 W8 C3 N3]'
_cell_volume [203.3692]
_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
[
  Sb  Sb0  2  0.3333  0.6667  0.2539  1
  W  W1  2  0.0000  0.0000  0.1523  1
  W  W2  2  0.0000  0.0000  0.3473  1
  W  W3  2  0.3333  0.6667  0.0565  1
  W  W4  2  0.3333  0.6667  0.4537  1
  C  C5  2  0.3333  0.6667  0.8896  1
  C  C6  1  0.0000  0.0000  0.0000  1
  N  N7  2  0.3333  0.6667  0.6016  1
  N  N8  1  0.0000  0.0000  0.5000  1
]