data_ScFeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   146.13
_cell_angle_beta   131.45
_cell_angle_gamma   60.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeW2
_chemical_formula_sum   'Sc1 Fe1 W2'
_cell_volume   63.82
_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  Sc1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.63  1.0
  W  W2  1  0.56  0.0  0.45  1.0
  W  W3  1  0.0  0.2  0.18  1.0

data_ScFeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.41
_cell_length_c   5.36
_cell_angle_alpha   114.28
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeW2
_chemical_formula_sum   'Sc1 Fe1 W2'
_cell_volume   63.82
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.63  0.63  1.0
  W  W2  1  0.0  0.45  0.89  1.0
  W  W3  1  0.8  0.97  0.97  1.0

Sc Fe W W