data_[Ni4B12W12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2108]
_cell_length_b [8.4659]
_cell_length_c [10.8019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ni(BW)3]
_chemical_formula_sum '[Ni4 B12 W12]'
_cell_volume [293.6205]
_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
[
  Ni  Ni0  4  0.0000  0.5000  0.0000  1.0
  B  B1  8  0.0000  0.0889  0.6037  1.0
  B  B2  4  0.0000  0.2089  0.7500  1.0
  W  W3  8  0.0000  0.2119  0.1085  1.0
  W  W4  4  0.0000  0.4976  0.2500  1.0
]