data_[Ti4Ag4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4623]
_cell_length_b [3.1565]
_cell_length_c [5.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Ag2C3]
_chemical_formula_sum '[Ti4 Ag4 C6]'
_cell_volume [174.4224]
_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  0.1290  0.5000  0.4071  1
  Ag  Ag1  4  0.1250  0.0000  0.8879  1
  C  C2  4  0.2346  0.0000  0.2759  1
  C  C3  2  0.0000  0.0000  0.5000  1
]