data_[Zr2C2Br2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6801]
_cell_length_b [3.2739]
_cell_length_c [7.5291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrCBrN2]
_chemical_formula_sum '[Zr2 C2 Br2 N4]'
_cell_volume [140.0016]
_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
[
  Zr  Zr0  2  0.1162  0.2500  0.7133  1
  C  C1  2  0.3734  0.2500  0.3620  1
  Br  Br2  2  0.2427  0.7500  0.0199  1
  N  N3  2  0.1565  0.2500  0.3973  1
  N  N4  2  0.4168  0.7500  0.6665  1
]