data_[Sc4B12W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3446]
_cell_length_b [19.3091]
_cell_length_c [3.1149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ScB3W]
_chemical_formula_sum '[Sc4 B12 W4]'
_cell_volume [201.1628]
_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
[
  Sc  Sc0  4  0.0000  0.0709  0.2500  1.0
  B  B1  4  0.0000  0.3323  0.7500  1.0
  B  B2  4  0.0000  0.3824  0.2500  1.0
  B  B3  4  0.0000  0.4766  0.2500  1.0
  W  W4  4  0.0000  0.2057  0.7500  1.0
]