data_[Co4Se4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3041]
_cell_length_b [5.3032]
_cell_length_c [9.9486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoSeN]
_chemical_formula_sum '[Co4 Se4 N4]'
_cell_volume [275.8526]
_cell_formula_units_Z [4]
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
[
  Co  Co0  4  0.0000  0.2500  0.0000  1.0
  Se  Se1  4  0.2067  0.5000  0.8627  1.0
  N  N2  4  0.0716  0.0000  0.5477  1.0
]