data_[Zr16Ni12W8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6324]
_cell_length_b [5.5748]
_cell_length_c [13.2326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Ni3W2C3]
_chemical_formula_sum '[Zr16 Ni12 W8 C12]'
_cell_volume [688.7682]
_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  0.1198  0.0757  0.6109  1
  Zr  Zr1  8  0.2095  0.0887  0.8890  1
  Ni  Ni2  8  0.1296  0.4528  0.7491  1
  Ni  Ni3  4  0.0000  0.1598  0.2500  1
  W  W4  8  0.0607  0.4120  0.4198  1
  C  C5  8  0.0810  0.2565  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]