data_[Zr12Co6N2]
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/c]
_cell_length_a [5.8296]
_cell_length_b [6.6708]
_cell_length_c [10.5030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6Co3N]
_chemical_formula_sum '[Zr12 Co6 N2]'
_cell_volume [350.7578]
_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  4  0.0842  0.0450  0.2382  1
  Zr  Zr1  4  0.2140  0.6921  0.0704  1
  Zr  Zr2  4  0.3853  0.1618  0.0625  1
  Co  Co3  4  0.3150  0.1132  0.7469  1
  Co  Co4  2  0.5000  0.0000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]