data_[Ta2Nb4Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.0070]
_cell_length_b [8.6709]
_cell_length_c [6.8303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Ta(NbGe3)2]
_chemical_formula_sum '[Ta2 Nb4 Ge12]'
_cell_volume [296.5384]
_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
[
  Ta  Ta0  2  0.0000  0.5000  0.0000  1
  Nb  Nb1  4  0.2500  0.2500  0.3322  1
  Ge  Ge2  8  0.2465  0.0827  0.6664  1
  Ge  Ge3  4  0.0000  0.1638  0.0000  1
]