data_[Cr6Se4N2]
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 [Pmna]
_cell_length_a [4.0219]
_cell_length_b [20.1230]
_cell_length_c [6.5631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Cr3Se2N]
_chemical_formula_sum '[Cr6 Se4 N2]'
_cell_volume [531.1601]
_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  0.0000  0.0756  0.3550  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.0000  0.1273  0.0047  1
  N  N3  2  0.0000  0.0000  0.5000  1
]