data_[Zr12Cd4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6126]
_cell_length_b [4.6863]
_cell_length_c [8.2482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3CdN]
_chemical_formula_sum '[Zr12 Cd4 N4]'
_cell_volume [374.0795]
_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  4  0.1092  0.0000  0.6914  1
  Zr  Zr1  4  0.1425  0.5000  0.4359  1
  Zr  Zr2  4  0.1428  0.0000  0.1700  1
  Cd  Cd3  4  0.1089  0.5000  0.9340  1
  N  N4  4  0.1210  0.0000  0.4262  1
]