data_[Ti4Co16Ge8]
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 [Fmmm]
_cell_length_a [4.9219]
_cell_length_b [8.0112]
_cell_length_c [8.9458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ti(Co2Ge)2]
_chemical_formula_sum '[Ti4 Co16 Ge8]'
_cell_volume [352.7380]
_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  4  0.0000  0.0000  0.0000  1
  Co  Co1  8  0.0000  0.2016  0.5000  1
  Co  Co2  8  0.2500  0.2500  0.2500  1
  Ge  Ge3  8  0.0000  0.0000  0.3152  1
]