data_[Ta2V10Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.7410]
_cell_length_b [13.6231]
_cell_length_c [5.6139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaV5Ge6]
_chemical_formula_sum '[Ta2 V10 Ge12]'
_cell_volume [360.4862]
_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  0.0000  0.0000  1
  V  V1  4  0.0000  0.3337  0.5000  1
  V  V2  4  0.0000  0.3384  0.0000  1
  V  V3  2  0.0000  0.0000  0.5000  1
  Ge  Ge4  8  0.0040  0.1715  0.7462  1
  Ge  Ge5  4  0.0071  0.5000  0.2588  1
]