data_ScB2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   39.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2W
_chemical_formula_sum   'Sc1 B2 W1'
_cell_volume   45.8
_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  Sc2  1  0.0  0.0  0.88  1.0
  B  B0  1  0.0  0.0  0.3  1.0
  B  B1  1  0.55  0.0  0.34  1.0
  W  W3  1  0.55  0.0  0.49  1.0

data_ScB2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.28
_cell_length_c   4.79
_cell_angle_alpha   109.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2W
_chemical_formula_sum   'Sc1 B2 W1'
_cell_volume   45.8
_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  0.0  0.88  0.88  1.0
  B  B1  1  0.0  0.3  0.3  1.0
  B  B2  1  0.45  0.34  0.34  1.0
  W  W3  1  0.45  0.49  0.49  1.0

Sc B B W