data_[Ni5B2W4]
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 [P2/m]
_cell_length_a [6.0726]
_cell_length_b [3.0426]
_cell_length_c [7.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ni5(BW2)2]
_chemical_formula_sum '[Ni5 B2 W4]'
_cell_volume [132.3897]
_cell_formula_units_Z [1]
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  2  0.1517  0.0000  0.1376  1
  Ni  Ni1  2  0.4667  0.0000  0.6670  1
  Ni  Ni2  1  0.5000  0.0000  0.0000  1
  B  B3  2  0.0594  0.0000  0.6224  1
  W  W4  2  0.1897  0.5000  0.8409  1
  W  W5  2  0.2226  0.5000  0.4413  1
]