data_[Cu4Se4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [9.4877]
_cell_length_b [3.1464]
_cell_length_c [7.5972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuSeN]
_chemical_formula_sum '[Cu4 Se4 N4]'
_cell_volume [204.7605]
_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
[
  Cu  Cu0  4  0.2439  0.0000  0.6345  1
  Se  Se1  4  0.0944  0.0000  0.8027  1
  N  N2  4  0.1180  0.0000  0.3442  1
]