data_[Cr6Se4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.6007]
_cell_length_b [20.8624]
_cell_length_c [5.9286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Cr3Se2N3]
_chemical_formula_sum '[Cr6 Se4 N6]'
_cell_volume [616.8714]
_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
[
  Cr  Cr0  2  0.2531  0.4371  0.3385  1
  Cr  Cr1  2  0.4894  0.4445  0.0437  1
  Cr  Cr2  2  0.9442  0.4744  0.5611  1
  Se  Se3  2  0.0231  0.3595  0.4842  1
  Se  Se4  2  0.8908  0.4138  0.8966  1
  N  N5  2  0.2504  0.3838  0.0930  1
  N  N6  2  0.2808  0.4246  0.6699  1
  N  N7  2  0.5715  0.4721  0.4131  1
]