data_[Be4Al2Fe10W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6832]
_cell_length_b [8.6832]
_cell_length_c [2.9285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Be2AlFe5W2]
_chemical_formula_sum '[Be4 Al2 Fe10 W4]'
_cell_volume [220.8018]
_cell_formula_units_Z [2]
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  0.1221  0.3779  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  8  0.0670  0.2120  0.5000  1.0
  Fe  Fe3  2  0.0000  0.5000  0.5000  1.0
  W  W4  4  0.1757  0.6757  0.0000  1.0
]