data_Zn(CrN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(CrN)2
_chemical_formula_sum   'Zn1 Cr2 N2'
_cell_volume   72.87
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.84  0.84  0.07  1.0
  Cr  Cr2  1  0.84  0.84  0.34  1.0
  N  N3  1  0.84  0.0  0.29  1.0
  N  N4  1  0.0  0.84  0.12  1.0

data_Zn(CrN)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(CrN)2
_chemical_formula_sum   'Zn1 Cr2 N2'
_cell_volume   72.87
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.84  0.84  0.07  1.0
  Cr  Cr2  1  0.84  0.84  0.34  1.0
  N  N3  1  0.0  0.84  0.12  1.0
  N  N4  1  0.84  0.0  0.29  1.0

Zn Cr Cr N N
Zn Cr Cr N N 0 1 - - o 0 4 o - o 1 4 + o o 2 3 o + o 