data_[Ti2Tc16C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tc  1.9000  1.3500  0.7417
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7768]
_cell_length_b [7.8375]
_cell_length_c [4.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(Tc4C)2]
_chemical_formula_sum '[Ti2 Tc16 C4]'
_cell_volume [312.6101]
_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  2  0.0000  0.0000  0.0000  1
  Tc  Tc1  8  0.1018  0.2607  0.2783  1
  Tc  Tc2  4  0.0879  0.5000  0.7669  1
  Tc  Tc3  4  0.2181  0.0000  0.7254  1
  C  C4  4  0.1964  0.0000  0.2356  1
]