data_[Cd2Ni6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7874]
_cell_length_b [5.4533]
_cell_length_c [6.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdNi3N]
_chemical_formula_sum '[Cd2 Ni6 N2]'
_cell_volume [129.0661]
_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
[
  Cd  Cd0  2  0.2833  0.7500  0.3268  1
  Ni  Ni1  4  0.2387  0.5008  0.8901  1
  Ni  Ni2  2  0.2810  0.2500  0.2712  1
  N  N3  2  0.2139  0.7500  0.7001  1
]