data_ScNb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   2.82
_cell_angle_alpha   99.69
_cell_angle_beta   99.69
_cell_angle_gamma   117.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb2W
_chemical_formula_sum   'Sc1 Nb2 W1'
_cell_volume   72.66
_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  Sc2  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.99  0.36  0.33  1.0
  Nb  Nb1  1  0.99  0.64  0.33  1.0
  W  W3  1  0.88  0.0  0.0  1.0

data_ScNb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   117.21
_cell_angle_beta   99.69
_cell_angle_gamma   99.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb2W
_chemical_formula_sum   'Sc1 Nb2 W1'
_cell_volume   72.66
_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  0.33  0.99  0.64  1.0
  Nb  Nb2  1  0.33  0.99  0.36  1.0
  W  W3  1  -0.0  0.88  0.0  1.0

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