data_[Ca2Nb2Zn2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0071]
_cell_length_b [3.2546]
_cell_length_c [8.4586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaNbZnN3]
_chemical_formula_sum '[Ca2 Nb2 Zn2 N6]'
_cell_volume [159.1529]
_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
[
  Ca  Ca0  2  0.3180  0.7500  0.3201  1
  Nb  Nb1  2  0.2885  0.2500  0.8928  1
  Zn  Zn2  2  0.1289  0.7500  0.6025  1
  N  N3  2  0.0806  0.7500  0.8375  1
  N  N4  2  0.2657  0.2500  0.5340  1
  N  N5  2  0.4409  0.2500  0.1249  1
]