data_[Ti8Co4Ge8]
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 [C2/m]
_cell_length_a [9.6338]
_cell_length_b [3.8563]
_cell_length_c [9.1186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2CoGe2]
_chemical_formula_sum '[Ti8 Co4 Ge8]'
_cell_volume [300.0406]
_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  0.0050  0.0000  0.3319  1.0
  Ti  Ti1  4  0.1790  0.0000  0.0979  1.0
  Co  Co2  4  0.2157  0.5000  0.3684  1.0
  Ge  Ge3  4  0.0297  0.5000  0.8771  1.0
  Ge  Ge4  4  0.1449  0.5000  0.5845  1.0
]