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 [P2_1/c]
_cell_length_a [8.2226]
_cell_length_b [5.8635]
_cell_length_c [8.5540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr3CdN]
_chemical_formula_sum '[Zr12 Cd4 N4]'
_cell_volume [380.8950]
_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  0.0493  0.5855  0.8477  1
  Zr  Zr1  4  0.1852  0.0674  0.0396  1
  Zr  Zr2  4  0.3384  0.6234  0.2592  1
  Cd  Cd3  4  0.3955  0.1620  0.4011  1
  N  N4  4  0.0694  0.7481  0.6028  1
]