data_ScTi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   2.8
_cell_angle_alpha   100.5
_cell_angle_beta   100.5
_cell_angle_gamma   115.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2W
_chemical_formula_sum   'Sc1 Ti2 W1'
_cell_volume   70.73
_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
  Ti  Ti1  1  0.97  0.31  0.32  1.0
  Ti  Ti2  1  0.97  0.69  0.32  1.0
  W  W3  1  0.91  0.0  0.0  1.0

data_ScTi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   115.61
_cell_angle_beta   100.5
_cell_angle_gamma   100.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2W
_chemical_formula_sum   'Sc1 Ti2 W1'
_cell_volume   70.73
_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
  Ti  Ti1  1  0.32  0.97  0.69  1.0
  Ti  Ti2  1  0.32  0.97  0.31  1.0
  W  W3  1  0.0  0.91  0.0  1.0

Sc Ti Ti W