data_[Ta10N20Cl34]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [12.9717]
_cell_length_b [12.9717]
_cell_length_c [10.7529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ta5N10Cl17]
_chemical_formula_sum '[Ta10 N20 Cl34]'
_cell_volume [1809.3389]
_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  8  0.0000  0.2235  0.9860  1
  Ta  Ta1  2  0.0000  0.0000  0.1286  1
  N  N2  8  0.0943  0.0943  0.0213  1
  N  N3  8  0.2476  0.2476  0.2509  1
  N  N4  4  0.0000  0.5000  0.2499  1
  Cl  Cl5  16  0.1360  0.3388  0.9953  1
  Cl  Cl6  8  0.0000  0.2036  0.7731  1
  Cl  Cl7  8  0.0000  0.2207  0.2169  1
  Cl  Cl8  2  0.0000  0.0000  0.3487  1
]