data_Nb2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.88
_cell_angle_alpha   101.82
_cell_angle_beta   101.82
_cell_angle_gamma   109.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsW
_chemical_formula_sum   'Nb2 As1 W1'
_cell_volume   68.45
_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  0.99  0.12  0.35  1.0
  Nb  Nb2  1  0.99  0.88  0.35  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.99  0.0  0.0  1.0

data_Nb2AsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   109.63
_cell_angle_beta   101.82
_cell_angle_gamma   101.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsW
_chemical_formula_sum   'Nb2 As1 W1'
_cell_volume   68.45
_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  0.35  0.99  0.12  1.0
  Nb  Nb1  1  0.35  0.99  0.88  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.99  0.0  1.0

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