data_[Ta8V16Ge12N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1934]
_cell_length_b [5.3037]
_cell_length_c [12.6116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2V4(GeN)3]
_chemical_formula_sum '[Ta8 V16 Ge12 N12]'
_cell_volume [595.7025]
_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
[
  Ta  Ta0  8  0.0520  0.4144  0.3995  1
  V  V1  8  0.1119  0.0779  0.5821  1
  V  V2  8  0.2197  0.0882  0.9187  1
  Ge  Ge3  8  0.1874  0.3956  0.7495  1
  Ge  Ge4  4  0.0000  0.0396  0.2500  1
  N  N5  8  0.0809  0.2545  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]