data_ScInW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInW2
_chemical_formula_sum   'Sc1 In1 W2'
_cell_volume   73.65
_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
  In  In0  1  0.84  0.0  0.0  1.0
  W  W2  1  0.42  0.29  0.41  1.0
  W  W3  1  0.42  0.71  0.41  1.0

data_ScInW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   116.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInW2
_chemical_formula_sum   'Sc1 In1 W2'
_cell_volume   73.65
_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
  In  In1  1  0.0  0.84  0.0  1.0
  W  W2  1  0.41  0.42  0.29  1.0
  W  W3  1  0.41  0.42  0.71  1.0

Sc In W W
Sc In W W 0 1 - o o 0 2 o o o 0 2 o o - 1 3 o - o 1 3 o - - 2 3 o o o 2 2 o o + 3 3 o o + 