data_NbAsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.19
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAsW2
_chemical_formula_sum   'Nb1 As1 W2'
_cell_volume   66.4
_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
  Nb  Nb1  1  0.52  0.09  0.88  1.0
  As  As0  1  0.0  0.0  0.64  1.0
  W  W2  1  0.0  0.0  0.06  1.0
  W  W3  1  0.52  0.09  0.25  1.0

data_NbAsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.19
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAsW2
_chemical_formula_sum   'Nb1 As1 W2'
_cell_volume   66.4
_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
  Nb  Nb0  1  0.52  0.09  0.88  1.0
  As  As1  1  0.0  0.0  0.64  1.0
  W  W2  1  0.0  0.0  0.06  1.0
  W  W3  1  0.52  0.09  0.25  1.0

Nb As W W
Nb As W W 0 1 o o o 0 1 + o o 0 2 o o + 0 2 + o + 0 3 o o + 1 2 o o + 2 3 - o o 2 3 o o o 