data_YNb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.64
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   100.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2W
_chemical_formula_sum   'Y1 Nb2 W1'
_cell_volume   79.79
_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
  Y  Y3  1  0.95  0.0  0.37  1.0
  Nb  Nb0  1  0.84  0.32  0.18  1.0
  Nb  Nb1  1  0.91  0.0  0.51  1.0
  W  W2  1  0.05  0.32  0.74  1.0

data_YNb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.64
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   100.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2W
_chemical_formula_sum   'Y1 Nb2 W1'
_cell_volume   79.79
_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
  Y  Y0  1  0.95  0.0  0.37  1.0
  Nb  Nb1  1  0.84  0.32  0.18  1.0
  Nb  Nb2  1  0.91  0.0  0.51  1.0
  W  W3  1  0.05  0.32  0.74  1.0

Y Nb Nb W
Y Nb Nb W 0 2 o o o 0 1 o o o 2 3 + o o 