data_[Ti20Ge8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3806]
_cell_length_b [13.3343]
_cell_length_c [10.1373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti5Ge2C]
_chemical_formula_sum '[Ti20 Ge8 C4]'
_cell_volume [592.1399]
_cell_formula_units_Z [4]
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  8  0.0000  0.0779  0.1176  1
  Ti  Ti1  8  0.0000  0.2864  0.0684  1
  Ti  Ti2  4  0.0000  0.2969  0.7500  1
  Ge  Ge3  8  0.0000  0.1234  0.6226  1
  C  C4  4  0.0000  0.1954  0.2500  1
]