data_[Y16Cu12W8N12]
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
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9813]
_cell_length_b [5.8363]
_cell_length_c [13.7894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Cu3W2N3]
_chemical_formula_sum '[Y16 Cu12 W8 N12]'
_cell_volume [775.9091]
_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
[
  Y  Y0  8  0.1221  0.0735  0.1100  1
  Y  Y1  8  0.2068  0.0906  0.3901  1
  Cu  Cu2  8  0.1182  0.4622  0.2465  1
  Cu  Cu3  4  0.0000  0.1805  0.7500  1
  W  W4  8  0.0639  0.5875  0.4338  1
  N  N5  8  0.0796  0.7420  0.9997  1
  N  N6  4  0.2500  0.2500  0.0000  1
]