data_[Zr18B2W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.6627]
_cell_length_b [8.6627]
_cell_length_c [8.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Zr9BW4]
_chemical_formula_sum '[Zr18 B2 W8]'
_cell_volume [563.0265]
_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
[
  Zr  Zr0  12  0.2029  0.4058  0.0550  1
  Zr  Zr1  6  0.0757  0.5378  0.7500  1
  B  B2  2  0.3333  0.6667  0.2500  1
  W  W3  6  0.1094  0.2188  0.7500  1
  W  W4  2  0.0000  0.0000  0.0000  1
]