data_W3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   14.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3C
_chemical_formula_sum   'W18 C6'
_cell_volume   342.72
_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
  W  W6  1  0.0  0.51  0.62  1.0
  W  W7  1  0.7  0.27  0.62  1.0
  W  W8  1  0.3  0.27  0.62  1.0
  W  W9  1  0.61  0.01  0.87  1.0
  W  W10  1  0.91  0.26  0.87  1.0
  W  W11  1  0.32  0.26  0.87  1.0
  W  W12  1  0.61  0.01  0.02  1.0
  W  W13  1  0.31  0.76  0.02  1.0
  W  W14  1  0.91  0.76  0.02  1.0
  W  W15  1  0.61  0.01  0.23  1.0
  W  W16  1  0.31  0.76  0.23  1.0
  W  W17  1  0.91  0.76  0.23  1.0
  W  W18  1  0.0  0.52  0.48  1.0
  W  W19  1  0.3  0.77  0.48  1.0
  W  W20  1  0.7  0.77  0.48  1.0
  W  W21  1  0.0  0.52  0.26  1.0
  W  W22  1  0.3  0.77  0.26  1.0
  W  W23  1  0.7  0.77  0.26  1.0
  C  C0  1  0.0  0.0  0.62  1.0
  C  C1  1  0.0  0.0  0.87  1.0
  C  C2  1  0.61  0.51  0.97  1.0
  C  C3  1  0.61  0.51  0.77  1.0
  C  C4  1  0.0  0.02  0.73  1.0
  C  C5  1  0.0  0.02  0.52  1.0

data_W3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   14.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3C
_chemical_formula_sum   'W18 C6'
_cell_volume   342.72
_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
  W  W0  1  0.0  0.51  0.62  1.0
  W  W1  1  0.0  0.52  0.26  1.0
  W  W2  1  0.0  0.52  0.48  1.0
  W  W3  1  0.3  0.27  0.62  1.0
  W  W4  1  0.3  0.77  0.26  1.0
  W  W5  1  0.3  0.77  0.48  1.0
  W  W6  1  0.31  0.76  0.02  1.0
  W  W7  1  0.31  0.76  0.23  1.0
  W  W8  1  0.32  0.26  0.87  1.0
  W  W9  1  0.61  0.01  0.02  1.0
  W  W10  1  0.61  0.01  0.23  1.0
  W  W11  1  0.61  0.01  0.87  1.0
  W  W12  1  0.7  0.77  0.26  1.0
  W  W13  1  0.7  0.77  0.48  1.0
  W  W14  1  0.7  0.27  0.62  1.0
  W  W15  1  0.91  0.26  0.87  1.0
  W  W16  1  0.91  0.76  0.02  1.0
  W  W17  1  0.91  0.76  0.23  1.0
  C  C18  1  0.0  0.0  0.62  1.0
  C  C19  1  0.0  0.0  0.87  1.0
  C  C20  1  0.0  0.02  0.52  1.0
  C  C21  1  0.0  0.02  0.73  1.0
  C  C22  1  0.61  0.51  0.77  1.0
  C  C23  1  0.61  0.51  0.97  1.0

W W W W W W W W W W W W W W W W W W C C C C C C
W W W W W W W W W W W W W W W W W W C C C C C C 0 1 - o o 1 21 o o o 2 18 o o o 2 21 o o o 3 4 o o o 4 19 + o o 5 19 o o o 5 21 o o o 6 7 o - o 8 20 o o - 9 16 o - o 9 10 o - o 9 17 o - o 10 16 o o o 10 15 o o o 11 17 o o o 11 15 + o o 12 13 o o o 14 23 + + o 15 16 o o o 18 23 o o o 18 22 o o o 19 21 - - o 21 22 + + o 