data_[Be6W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.3957]
_cell_length_b [5.3957]
_cell_length_c [4.1108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Be2W]
_chemical_formula_sum '[Be6 W3]'
_cell_volume [103.6445]
_cell_formula_units_Z [3]
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  3  0.0000  0.2060  0.0000  1
  Be  Be1  3  0.0000  0.4836  0.5000  1
  W  W2  2  0.3333  0.6667  0.0000  1
  W  W3  1  0.0000  0.0000  0.5000  1
]