data_[Ti10W2C10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7135]
_cell_length_b [4.3285]
_cell_length_c [6.1337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti5WC5]
_chemical_formula_sum '[Ti10 W2 C10]'
_cell_volume [244.3638]
_cell_formula_units_Z [2]
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  4  0.1704  0.5000  0.8460  1.0
  Ti  Ti1  4  0.1794  0.5000  0.3311  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  W  W3  2  0.0000  0.0000  0.0000  1.0
  C  C4  4  0.1664  0.0000  0.3358  1.0
  C  C5  4  0.1671  0.0000  0.8323  1.0
  C  C6  2  0.0000  0.5000  0.0000  1.0
]