data_[Sc1Be1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4184]
_cell_length_b [4.4184]
_cell_length_c [2.8037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ScBeW]
_chemical_formula_sum '[Sc1 Be1 W1]'
_cell_volume [47.4032]
_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
[
  Sc  Sc0  1  0.0000  0.0000  0.3196  1
  Be  Be1  1  0.3333  0.6667  0.9121  1
  W  W2  1  0.6667  0.3333  0.7683  1
]