data_[Ta16C4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6072]
_cell_length_b [7.3579]
_cell_length_c [4.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta8C2N]
_chemical_formula_sum '[Ta16 C4 N2]'
_cell_volume [328.7377]
_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  0.1163  0.2128  0.2387  1
  Ta  Ta1  4  0.1135  0.5000  0.7567  1
  Ta  Ta2  4  0.1607  0.0000  0.7212  1
  C  C3  4  0.1135  0.5000  0.2594  1
  N  N4  2  0.0000  0.0000  0.0000  1
]