data_[Ti12Co12Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1660]
_cell_length_b [10.9022]
_cell_length_c [6.3344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [TiCoGe]
_chemical_formula_sum '[Ti12 Co12 Ge12]'
_cell_volume [494.8749]
_cell_formula_units_Z [12]
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  0.2500  0.0014  0.8307  1
  Ti  Ti1  4  0.2500  0.2288  0.4881  1
  Ti  Ti2  4  0.2500  0.6951  0.9505  1
  Co  Co3  8  0.0411  0.6227  0.6278  1
  Co  Co4  4  0.0000  0.0000  0.4986  1
  Ge  Ge5  8  0.0066  0.6670  0.2537  1
  Ge  Ge6  4  0.2500  0.0344  0.2490  1
]