data_NbW2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   141.66
_cell_angle_beta   141.66
_cell_angle_gamma   55.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbW2C
_chemical_formula_sum   'Nb1 W2 C1'
_cell_volume   58.82
_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
  Nb  Nb1  1  0.0  0.0  0.75  1.0
  W  W2  1  0.0  0.76  0.37  1.0
  W  W3  1  0.76  0.0  0.37  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_NbW2C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   117.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbW2C
_chemical_formula_sum   'Nb2 W4 C2'
_cell_volume   117.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  2  0.0  0.0  0.25  1.0
  W  W1  4  0.38  0.38  0.39  1.0
  C  C2  2  0.0  0.0  0.0  1.0

Nb W W C
Nb W W C 0 2 - o o 0 1 o - o 0 3 o o + 1 2 - + o 