data_NbPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPW2
_chemical_formula_sum   'Nb1 P1 W2'
_cell_volume   63.83
_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  0.06  0.22  0.48  1.0
  P  P1  1  0.22  0.0  0.65  1.0
  W  W2  1  0.28  0.22  0.07  1.0
  W  W3  1  1.0  0.0  0.03  1.0

data_NbPW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPW2
_chemical_formula_sum   'Nb1 P1 W2'
_cell_volume   63.83
_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  0.06  0.22  0.48  1.0
  P  P1  1  0.22  0.0  0.65  1.0
  W  W2  1  0.28  0.22  0.07  1.0
  W  W3  1  1.0  0.0  0.03  1.0

Nb P W W