data_TiWC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.06
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   99.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiWC2
_chemical_formula_sum   'Ti1 W1 C2'
_cell_volume   43.13
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.23  0.0  0.19  1.0
  C  C0  1  0.67  0.53  0.78  1.0
  C  C1  1  0.79  0.53  0.6  1.0

data_TiWC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.22
_cell_length_c   4.45
_cell_angle_alpha   99.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiWC2
_chemical_formula_sum   'Ti1 W1 C2'
_cell_volume   43.13
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.77  0.81  1.0
  C  C2  1  0.47  0.21  0.4  1.0
  C  C3  1  0.47  0.33  0.22  1.0

Ti W C C