data_[Be1Sb2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Sb  2.0500  1.4500  0.8300
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.4765]
_cell_length_b [3.4273]
_cell_length_c [6.3233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BeSb2W]
_chemical_formula_sum '[Be1 Sb2 W1]'
_cell_volume [73.9367]
_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
[
  Be  Be0  1  0.5000  0.5000  0.0000  1
  Sb  Sb1  2  0.0810  0.0000  0.7510  1
  W  W2  1  0.5000  0.5000  0.5000  1
]