data_[Zr8Ta16Cd12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5866]
_cell_length_b [5.5504]
_cell_length_c [14.7308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Ta4(CdN)3]
_chemical_formula_sum '[Zr8 Ta16 Cd12 N12]'
_cell_volume [765.4099]
_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
[
  Zr  Zr0  8  0.0488  0.4186  0.4020  1
  Ta  Ta1  8  0.1078  0.0886  0.5758  1
  Ta  Ta2  8  0.2277  0.0812  0.9242  1
  Cd  Cd3  8  0.2019  0.3804  0.7510  1
  Cd  Cd4  4  0.0000  0.0162  0.2500  1
  N  N5  8  0.0818  0.2553  0.0001  1
  N  N6  4  0.2500  0.2500  0.5000  1
]