data_[Y8Cu2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4829]
_cell_length_b [3.4829]
_cell_length_c [25.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Y4CuN3]
_chemical_formula_sum '[Y8 Cu2 N6]'
_cell_volume [264.1266]
_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
[
  Y  Y0  4  0.0000  0.0000  0.1654  1
  Y  Y1  4  0.3333  0.6667  0.0549  1
  Cu  Cu2  2  0.3333  0.6667  0.2500  1
  N  N3  4  0.3333  0.6667  0.6141  1
  N  N4  2  0.0000  0.0000  0.0000  1
]