data_[Be4Ni4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7480]
_cell_length_b [2.5970]
_cell_length_c [6.8175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeNiW]
_chemical_formula_sum '[Be4 Ni4 W4]'
_cell_volume [140.3909]
_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
[
  Be  Be0  2  0.2604  0.5000  0.5594  1
  Be  Be1  2  0.3037  0.5000  0.9381  1
  Ni  Ni2  2  0.0548  0.0000  0.2568  1
  Ni  Ni3  2  0.1075  0.0000  0.6467  1
  W  W4  2  0.0198  0.5000  0.8901  1
  W  W5  2  0.3363  0.0000  0.3002  1
]