data_ScTiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.51
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiW2
_chemical_formula_sum   'Sc1 Ti1 W2'
_cell_volume   69.74
_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  0.94  0.0  0.72  1.0
  Ti  Ti1  1  0.88  0.26  0.17  1.0
  W  W2  1  0.78  0.0  0.04  1.0
  W  W3  1  0.99  0.26  0.25  1.0

data_ScTiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.51
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiW2
_chemical_formula_sum   'Sc1 Ti1 W2'
_cell_volume   69.74
_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  0.94  0.0  0.72  1.0
  Ti  Ti1  1  0.88  0.26  0.17  1.0
  W  W2  1  0.78  0.0  0.04  1.0
  W  W3  1  0.99  0.26  0.25  1.0

Sc Ti W W