data_ScW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   158.85
_cell_angle_beta   158.85
_cell_angle_gamma   30.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScW2
_chemical_formula_sum   'Sc1 W2'
_cell_volume   52.79
_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
  W  W1  1  0.0  0.0  0.74  1.0
  W  W2  1  0.0  0.0  0.56  1.0

data_ScW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScW2
_chemical_formula_sum   'Sc2 W4'
_cell_volume   105.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  W  W1  2  0.06  0.5  0.56  1.0
  W  W2  2  0.24  0.5  0.74  1.0

Sc W W
Sc W W 0 1 o o - 1 2 o o o 