data_TaWC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   3.21
_cell_angle_alpha   110.02
_cell_angle_beta   110.02
_cell_angle_gamma   91.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaWC2
_chemical_formula_sum   'Ta1 W1 C2'
_cell_volume   50.72
_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
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.98  0.0  0.0  1.0
  C  C0  1  0.49  0.48  0.0  1.0
  C  C1  1  0.49  0.52  0.0  1.0

data_TaWC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   91.19
_cell_angle_beta   110.02
_cell_angle_gamma   110.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaWC2
_chemical_formula_sum   'Ta1 W1 C2'
_cell_volume   50.72
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.98  0.0  1.0
  C  C2  1  0.0  0.49  0.52  1.0
  C  C3  1  0.0  0.49  0.48  1.0

Ta W C C
Ta W C C 0 1 - o o 2 3 o o o 