data_[Ta16Sn12W8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9131]
_cell_length_b [5.5582]
_cell_length_c [13.8608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Sn3W2N3]
_chemical_formula_sum '[Ta16 Sn12 W8 N12]'
_cell_volume [742.8175]
_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  0.1103  0.1000  0.5799  1
  Ta  Ta1  8  0.2312  0.0733  0.9197  1
  Sn  Sn2  8  0.1649  0.4196  0.7519  1
  Sn  Sn3  4  0.0000  0.0872  0.2500  1
  W  W4  8  0.0417  0.4241  0.4178  1
  N  N5  8  0.0861  0.2404  0.9981  1
  N  N6  4  0.2500  0.2500  0.5000  1
]