data_ScNbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   2.79
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   117.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbW2
_chemical_formula_sum   'Sc1 Nb1 W2'
_cell_volume   70.19
_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
  Nb  Nb0  1  0.84  0.0  0.0  1.0
  W  W2  1  0.96  0.34  0.32  1.0
  W  W3  1  0.96  0.66  0.32  1.0

data_ScNbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.45
_cell_length_c   5.47
_cell_angle_alpha   117.05
_cell_angle_beta   99.81
_cell_angle_gamma   99.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbW2
_chemical_formula_sum   'Sc1 Nb1 W2'
_cell_volume   70.19
_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
  Nb  Nb1  1  -0.0  0.0  0.84  1.0
  W  W2  1  0.66  0.34  0.3  1.0
  W  W3  1  0.98  0.66  0.63  1.0

Sc Nb W W
Sc Nb W W 0 1 - o o 0 2 - o o 0 3 - - o 1 2 o o o 2 3 o o o 