data_[Be4B4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3145]
_cell_length_b [3.1477]
_cell_length_c [5.4993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeBW]
_chemical_formula_sum '[Be4 B4 W4]'
_cell_volume [115.8329]
_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  4  0.1951  0.5000  0.0899  1
  B  B1  4  0.1314  0.5000  0.6693  1
  W  W2  4  0.0737  0.0000  0.3201  1
]