data_[Ti8Sb4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.0867]
_cell_length_b [10.1847]
_cell_length_c [3.3671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ti4Sb2C]
_chemical_formula_sum '[Ti8 Sb4 C2]'
_cell_volume [243.0245]
_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  0.1281  0.6823  0.0000  1
  Ti  Ti1  4  0.1725  0.4342  0.5000  1
  Sb  Sb2  4  0.0639  0.1507  0.5000  1
  C  C3  2  0.0000  0.5000  0.0000  1
]