data_[Zr2Co2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4695]
_cell_length_b [3.2649]
_cell_length_c [5.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrCoN]
_chemical_formula_sum '[Zr2 Co2 N2]'
_cell_volume [74.1115]
_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  0.1719  0.7500  0.8133  1
  Co  Co1  2  0.3865  0.7500  0.3392  1
  N  N2  2  0.3026  0.2500  0.1307  1
]