data_[Cr8Se6N4]
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 [Pnnm]
_cell_length_a [6.4596]
_cell_length_b [13.1370]
_cell_length_c [3.3622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Cr4Se3N2]
_chemical_formula_sum '[Cr8 Se6 N4]'
_cell_volume [285.3174]
_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  4  0.1881  0.5617  0.0000  1
  Cr  Cr1  4  0.1963  0.3565  0.5000  1
  Se  Se2  4  0.1660  0.7165  0.5000  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.1144  0.4207  0.0000  1
]