data_[Zr16Cu12W8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [9.6406]
_cell_length_b [5.5721]
_cell_length_c [13.2783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Cu3W2N3]
_chemical_formula_sum '[Zr16 Cu12 W8 N12]'
_cell_volume [691.6095]
_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
[
  Zr  Zr0  8  0.1180  0.9182  0.6085  1
  Zr  Zr1  8  0.2124  0.0899  0.3919  1
  Cu  Cu2  8  0.1285  0.4602  0.2500  1
  Cu  Cu3  4  0.0000  0.1557  0.7500  1
  W  W4  8  0.0618  0.4127  0.9295  1
  N  N5  8  0.0872  0.2390  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]